2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide

C17H12BrN3O2S — CID 123152203

IUPAC2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(C(=O)Nc2ccc(Br)cc2)s1)c1ccccc1
InChIInChI=1S/C17H12BrN3O2S/c18-12-6-8-13(9-7-12)20-16(23)14-10-19-17(24-14)21-15(22)11-4-2-1-3-5-11/h1-10H,(H,20,23)(H,19,21,22)
InChIKeyLICVURGANMAAQF-UHFFFAOYSA-N
MW402.27 g/mol
LogP4.41
Rot. Bonds4

About 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide

2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 123152203) has the molecular formula C17H12BrN3O2S and a molecular weight of 402.27 g/mol. Its IUPAC name is 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
PubChem CID123152203
Molecular FormulaC17H12BrN3O2S
Molecular Weight402.27 g/mol
Exact Mass400.98
IUPAC Name2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(C(=O)Nc2ccc(Br)cc2)s1)c1ccccc1
InChIInChI=1S/C17H12BrN3O2S/c18-12-6-8-13(9-7-12)20-16(23)14-10-19-17(24-14)21-15(22)11-4-2-1-3-5-11/h1-10H,(H,20,23)(H,19,21,22)
InChIKeyLICVURGANMAAQF-UHFFFAOYSA-N
XLogP4.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 165118178
2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122693201
N-(5-ethenyl-1,3-thiazol-2-yl)benzamide
CID 123927377
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 67738868
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
(4-benzamidophenyl)carbamic acid
CID 18543096
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide (CID 123152203) is 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ncc(C(=O)Nc2ccc(Br)cc2)s1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LICVURGANMAAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2S/c18-12-6-8-13(9-7-12)20-16(23)14-10-19-17(24-14)21-15(22)11-4-2-1-3-5-11/h1-10H,(H,20,23)(H,19,21,22).
What are the key properties of 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 402.27 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123152203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).