2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide

C19H18N2OS — CID 9457088

IUPAC2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-14(15-8-4-2-5-9-15)12-20-18(22)17-13-23-19(21-17)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyVKXFDHACQVCQQO-AWEZNQCLSA-N
MW322.43 g/mol
LogP4.34
Rot. Bonds5

About 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide

2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 9457088) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID9457088
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-14(15-8-4-2-5-9-15)12-20-18(22)17-13-23-19(21-17)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyVKXFDHACQVCQQO-AWEZNQCLSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9090037
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
N-[2-(diethylamino)-2-phenylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18271681
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 71803828
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310472

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide (CID 9457088) is 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide is C[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VKXFDHACQVCQQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14(15-8-4-2-5-9-15)12-20-18(22)17-13-23-19(21-17)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9457088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).