N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

C25H22N2OS — CID 39084136

IUPACN-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2OS/c1-18-24(29-22(26-18)17-19-11-5-2-6-12-19)25(28)27-23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,23H,17H2,1H3,(H,27,28)
InChIKeyMRRQDLFPGUQNEN-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.56
Rot. Bonds6

About N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 39084136) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID39084136
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC NameN-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2OS/c1-18-24(29-22(26-18)17-19-11-5-2-6-12-19)25(28)27-23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,23H,17H2,1H3,(H,27,28)
InChIKeyMRRQDLFPGUQNEN-UHFFFAOYSA-N
XLogP5.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 49318983
2-benzyl-N-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084159
2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
2-benzyl-N-[(E)-benzylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024482

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (CID 39084136) is N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MRRQDLFPGUQNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-18-24(29-22(26-18)17-19-11-5-2-6-12-19)25(28)27-23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,23H,17H2,1H3,(H,27,28).
What are the key properties of N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39084136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).