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

C11H9BrN2OS — CID 110696235

IUPACN-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C11H9BrN2OS/c1-7-6-16-11(13-7)10(15)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,14,15)
InChIKeyYQKDOQBKXXBMRI-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.47
Rot. Bonds2

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

N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 110696235) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID110696235
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC NameN-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C11H9BrN2OS/c1-7-6-16-11(13-7)10(15)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,14,15)
InChIKeyYQKDOQBKXXBMRI-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696181
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696253
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696195
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110862839
N-(2-bromophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383894
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108807886

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide (CID 110696235) is N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is YQKDOQBKXXBMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-7-6-16-11(13-7)10(15)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,14,15).
What are the key properties of N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide?
N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).