N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

C24H19N3O2S — CID 9074270

IUPACN-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H19N3O2S/c1-16(28)25-19-13-8-14-20(15-19)26-23(29)22-21(17-9-4-2-5-10-17)27-24(30-22)18-11-6-3-7-12-18/h2-15H,1H3,(H,25,28)(H,26,29)
InChIKeyYOCNLEMZIRYRSD-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.69
Rot. Bonds5

About N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 9074270) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID9074270
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H19N3O2S/c1-16(28)25-19-13-8-14-20(15-19)26-23(29)22-21(17-9-4-2-5-10-17)27-24(30-22)18-11-6-3-7-12-18/h2-15H,1H3,(H,25,28)(H,26,29)
InChIKeyYOCNLEMZIRYRSD-UHFFFAOYSA-N
XLogP5.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17473227
N-(3-methoxyphenyl)-4-phenyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
CID 60529003
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
(3-acetamidophenyl) 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 75413119
N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 30864538
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
methyl 5-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-2,4-difluorobenzoate
CID 30702610
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 9074270) is N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YOCNLEMZIRYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-16(28)25-19-13-8-14-20(15-19)26-23(29)22-21(17-9-4-2-5-10-17)27-24(30-22)18-11-6-3-7-12-18/h2-15H,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9074270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).