Home > Compound List > Compound details
 molecular structure
click picture or here to close

(2S)-2-{[6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}-4-methylpentanamide

ChemBase ID: 460060
Molecular Formular: C20H24N4O2S
Molecular Mass: 384.49516
Monoisotopic Mass: 384.16199703
SMILES and InChIs

SMILES:
n12c(C(=O)N[C@H](C(=O)N)CC(C)C)csc1nc(c2)c1c(ccc(c1)C)C
Canonical SMILES:
CC(C[C@@H](C(=O)N)NC(=O)c1csc2n1cc(n2)c1cc(C)ccc1C)C
InChI:
InChI=1S/C20H24N4O2S/c1-11(2)7-15(18(21)25)22-19(26)17-10-27-20-23-16(9-24(17)20)14-8-12(3)5-6-13(14)4/h5-6,8-11,15H,7H2,1-4H3,(H2,21,25)(H,22,26)/t15-/m0/s1
InChIKey:
RMKKPHKCHUTRRQ-HNNXBMFYSA-N

Cite this record

CBID:460060 http://www.chembase.cn/molecule-460060.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-{[6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}-4-methylpentanamide
IUPAC Traditional name
(2S)-2-{[6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}-4-methylpentanamide
Synonyms
N-[(1S)-1-(aminocarbonyl)-3-methylbutyl]-6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 32277038 external link Add to cart
Data Source Data ID Price
ChemBridge
32277038 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.945297  H Acceptors
H Donor LogD (pH = 5.5) 3.3398092 
LogD (pH = 7.4) 3.3413818  Log P 3.3414018 
Molar Refractivity 118.2859 cm3 Polarizability 41.548927 Å3
Polar Surface Area 89.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.97  LOG S -5.07 
Polar Surface Area 89.49 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle