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

C11H9BrN2OS — CID 116887743

IUPAC2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Br)sc1C(N)=O
InChIInChI=1S/C11H9BrN2OS/c1-6-9(10(13)15)16-11(14-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15)
InChIKeyJTNKLUCVQCTENR-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.98
Rot. Bonds2

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

2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116887743) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID116887743
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Br)sc1C(N)=O
InChIInChI=1S/C11H9BrN2OS/c1-6-9(10(13)15)16-11(14-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15)
InChIKeyJTNKLUCVQCTENR-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

2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 116887740
2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887739
4-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-2-one
CID 116886477
2-(2-bromophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114359471
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
2-(2-bromophenyl)-N,4-dimethoxy-N-methyl-1,3-thiazole-5-carboxamide
CID 118609202
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 84609516
N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403555

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 116887743) is 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2Br)sc1C(N)=O.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JTNKLUCVQCTENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-6-9(10(13)15)16-11(14-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15).
What are the key properties of 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-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 2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116887743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).