N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H8BrFN2OS — CID 28938704

IUPACN-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H8BrFN2OS/c1-6-10(17-5-14-6)11(16)15-9-3-2-7(13)4-8(9)12/h2-5H,1H3,(H,15,16)
InChIKeyXPYYLLYOVKCDPV-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.61
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 28938704) has the molecular formula C11H8BrFN2OS and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID28938704
Molecular FormulaC11H8BrFN2OS
Molecular Weight315.17 g/mol
Exact Mass313.95
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C11H8BrFN2OS/c1-6-10(17-5-14-6)11(16)15-9-3-2-7(13)4-8(9)12/h2-5H,1H3,(H,15,16)
InChIKeyXPYYLLYOVKCDPV-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-bromo-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 43623847
N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 113456224
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283
N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103816486
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548434
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 28938704) is N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XPYYLLYOVKCDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2OS/c1-6-10(17-5-14-6)11(16)15-9-3-2-7(13)4-8(9)12/h2-5H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 28938704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).