4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C11H7ClF3N3OS — CID 170555882

IUPAC4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(C(F)(F)F)nc1Nc1ccccc1Cl
InChIInChI=1S/C11H7ClF3N3OS/c12-5-3-1-2-4-6(5)17-9-7(8(16)19)20-10(18-9)11(13,14)15/h1-4,17H,(H2,16,19)
InChIKeyLOCLAOSVQUJMLI-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.66
Rot. Bonds3

About 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 170555882) has the molecular formula C11H7ClF3N3OS and a molecular weight of 321.71 g/mol. Its IUPAC name is 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID170555882
Molecular FormulaC11H7ClF3N3OS
Molecular Weight321.71 g/mol
Exact Mass321.00
IUPAC Name4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(C(F)(F)F)nc1Nc1ccccc1Cl
InChIInChI=1S/C11H7ClF3N3OS/c12-5-3-1-2-4-6(5)17-9-7(8(16)19)20-10(18-9)11(13,14)15/h1-4,17H,(H2,16,19)
InChIKeyLOCLAOSVQUJMLI-UHFFFAOYSA-N
XLogP3.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloroanilino)-2-(trifluoromethyl)-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

3-(2-chloroanilino)-5-(trifluoromethyl)thiophene-2-carboxylic acid
CID 170555867
N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
CID 164562819
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
2-(2-chloroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869678
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
4-[[4-(2-chloroanilino)-5-fluoropyrimidin-2-yl]amino]benzoic acid
CID 56587966
4-N-(2-chlorophenyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19147954
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
5-amino-6-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 114405028
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
4-(2-chloroanilino)quinoline-2-carboxylic acid
CID 63538967

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 170555882) is 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(C(F)(F)F)nc1Nc1ccccc1Cl.
What is the InChIKey of 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LOCLAOSVQUJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3OS/c12-5-3-1-2-4-6(5)17-9-7(8(16)19)20-10(18-9)11(13,14)15/h1-4,17H,(H2,16,19).
What are the key properties of 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 321.71 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 170555882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).