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N-butyl-2-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

ChemBase ID: 510287
Molecular Formular: C16H23N3O2S
Molecular Mass: 321.43772
Monoisotopic Mass: 321.15109799
SMILES and InChIs

SMILES:
c1(nc(sc1)CN(C)C)C(=O)N(Cc1occc1)CCCC
Canonical SMILES:
CCCCN(C(=O)c1csc(n1)CN(C)C)Cc1ccco1
InChI:
InChI=1S/C16H23N3O2S/c1-4-5-8-19(10-13-7-6-9-21-13)16(20)14-12-22-15(17-14)11-18(2)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKey:
KIOOMEUCZLLLQC-UHFFFAOYSA-N

Cite this record

CBID:510287 http://www.chembase.cn/molecule-510287.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-butyl-2-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
IUPAC Traditional name
N-butyl-2-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
Synonyms
N-butyl-2-[(dimethylamino)methyl]-N-(2-furylmethyl)-1,3-thiazole-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40502323 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.6612808  LogD (pH = 7.4) 2.4125383 
Log P 2.4390633  Molar Refractivity 88.513 cm3
Polarizability 33.68652 Å3 Polar Surface Area 49.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.12  LOG S -3.35 
Polar Surface Area 49.58 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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