2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride

C12H6ClF3N2O2S — CID 87544502

IUPAC2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
SMILESO=C(Nc1nc(C(=O)Cl)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6ClF3N2O2S/c13-9(19)8-5-21-11(17-8)18-10(20)6-2-1-3-7(4-6)12(14,15)16/h1-5H,(H,17,18,20)
InChIKeyWKBCCTKXXDIMPM-UHFFFAOYSA-N
MW334.71 g/mol
LogP3.79
Rot. Bonds3

About 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride

2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride (PubChem CID 87544502) has the molecular formula C12H6ClF3N2O2S and a molecular weight of 334.71 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
PubChem CID87544502
Molecular FormulaC12H6ClF3N2O2S
Molecular Weight334.71 g/mol
Exact Mass333.98
IUPAC Name2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
SMILESO=C(Nc1nc(C(=O)Cl)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6ClF3N2O2S/c13-9(19)8-5-21-11(17-8)18-10(20)6-2-1-3-7(4-6)12(14,15)16/h1-5H,(H,17,18,20)
InChIKeyWKBCCTKXXDIMPM-UHFFFAOYSA-N
XLogP3.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride 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-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113871
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
N-methyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113897
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177
N-(2-pyridin-3-ylethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113889
N-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3264457
4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113866
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride?
The IUPAC name of 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride (CID 87544502) is 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride.
What is the SMILES notation for 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride?
The canonical SMILES for 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride is O=C(Nc1nc(C(=O)Cl)cs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride?
The InChIKey is WKBCCTKXXDIMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O2S/c13-9(19)8-5-21-11(17-8)18-10(20)6-2-1-3-7(4-6)12(14,15)16/h1-5H,(H,17,18,20).
What are the key properties of 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride?
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride has a molecular weight of 334.71 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride is sourced from PubChem (CID 87544502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).