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

C11H8ClFN2OS — CID 110859324

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H8ClFN2OS/c1-6-14-5-10(17-6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H,15,16)
InChIKeyCJAWTYVLMHYAIM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.50
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110859324) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110859324
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H8ClFN2OS/c1-6-14-5-10(17-6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H,15,16)
InChIKeyCJAWTYVLMHYAIM-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-fluorophenyl)-2-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

N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
N-(3-chloro-4-fluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 7959725
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 114030963
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 160537999
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 110859324) is N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CJAWTYVLMHYAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c1-6-14-5-10(17-6)11(16)15-7-2-3-9(13)8(12)4-7/h2-5H,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110859324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).