4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide

C19H18N2OS — CID 9123977

IUPAC4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-13(15-9-5-3-6-10-15)20-18(22)17-14(2)21-19(23-17)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyQDLCJXBMCGGIAS-CYBMUJFWSA-N
MW322.43 g/mol
LogP4.61
Rot. Bonds4

About 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 9123977) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
PubChem CID9123977
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-13(15-9-5-3-6-10-15)20-18(22)17-14(2)21-19(23-17)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyQDLCJXBMCGGIAS-CYBMUJFWSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721046
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
N-[1-(3-acetamidophenyl)ethyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46598586
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308
2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 24515088

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide (CID 9123977) is 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QDLCJXBMCGGIAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13(15-9-5-3-6-10-15)20-18(22)17-14(2)21-19(23-17)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9123977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).