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

C11H9BrN2OS — CID 144534164

IUPAC5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nsc(-c2ccc(Br)cc2)c1C(N)=O
InChIInChI=1S/C11H9BrN2OS/c1-6-9(11(13)15)10(16-14-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15)
InChIKeyYCMCFMGLZXJSOJ-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.98
Rot. Bonds2

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

5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 144534164) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID144534164
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nsc(-c2ccc(Br)cc2)c1C(N)=O
InChIInChI=1S/C11H9BrN2OS/c1-6-9(11(13)15)10(16-14-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15)
InChIKeyYCMCFMGLZXJSOJ-UHFFFAOYSA-N
XLogP2.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 177018716
CID 177018716
5-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869760
5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 144533911
5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
CID 137195237
7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171358628
ethyl 3-(4-bromophenyl)-1,2,4-thiadiazole-5-carboxylate
CID 53404615
3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide
CID 46735501
[4-(4-bromophenyl)phenyl] carbamate
CID 151826430
methyl 4-amino-2-(4-bromophenyl)thiophene-3-carboxylate
CID 58191193
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 157458713
3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide (CID 144534164) is 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide is Cc1nsc(-c2ccc(Br)cc2)c1C(N)=O.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is YCMCFMGLZXJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-6-9(11(13)15)10(16-14-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15).
What are the key properties of 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 144534164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).