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N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide

ChemBase ID: 470187
Molecular Formular: C18H23N3OS
Molecular Mass: 329.45972
Monoisotopic Mass: 329.15618337
SMILES and InChIs

SMILES:
n1c(csc1C)CNC(=O)CN1CCC(CC1)c1ccccc1
Canonical SMILES:
O=C(CN1CCC(CC1)c1ccccc1)NCc1csc(n1)C
InChI:
InChI=1S/C18H23N3OS/c1-14-20-17(13-23-14)11-19-18(22)12-21-9-7-16(8-10-21)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)
InChIKey:
KNVOSEOTTRVXJR-UHFFFAOYSA-N

Cite this record

CBID:470187 http://www.chembase.cn/molecule-470187.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
IUPAC Traditional name
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
Synonyms
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-phenyl-1-piperidinyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33911932 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)
Acid pKa 13.703724  H Acceptors
H Donor LogD (pH = 5.5) 0.06957768 
LogD (pH = 7.4) 1.6537083  Log P 1.9438779 
Molar Refractivity 93.3167 cm3 Polarizability 36.113644 Å3
Polar Surface Area 45.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.2  LOG S -3.48 
Polar Surface Area 45.23 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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