N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H19FN2OS — CID 18229378

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2OS/c1-13(2)18(14-8-10-16(21)11-9-14)23-19(24)17-12-25-20(22-17)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,24)
InChIKeyCKBKRYORWKZYDT-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.08
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 18229378) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID18229378
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2OS/c1-13(2)18(14-8-10-16(21)11-9-14)23-19(24)17-12-25-20(22-17)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,24)
InChIKeyCKBKRYORWKZYDT-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62787338
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78835538
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654
N-(2-amino-1-cyano-2-oxoethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75455599
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 18229378) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide is CC(C)C(NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is CKBKRYORWKZYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-13(2)18(14-8-10-16(21)11-9-14)23-19(24)17-12-25-20(22-17)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,24).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18229378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).