4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C30H20ClF7N8O2S2 — CID 158919361

IUPAC4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccc(Cl)cc2)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C15H10ClF3N4OS.C15H10F4N4OS/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-2-4-9(16)5-3-8;1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16/h2*2-7H,1H3,(H,20,21,24)
InChIKeyJHQIUMNXIKCNQC-UHFFFAOYSA-N
MW757.12 g/mol
LogP8.42
Rot. Bonds6

About 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 158919361) has the molecular formula C30H20ClF7N8O2S2 and a molecular weight of 757.12 g/mol. Its IUPAC name is 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID158919361
Molecular FormulaC30H20ClF7N8O2S2
Molecular Weight757.12 g/mol
Exact Mass756.07
IUPAC Name4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccc(Cl)cc2)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C15H10ClF3N4OS.C15H10F4N4OS/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-2-4-9(16)5-3-8;1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16/h2*2-7H,1H3,(H,20,21,24)
InChIKeyJHQIUMNXIKCNQC-UHFFFAOYSA-N
XLogP8.42
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.12
LogP ≤ 58.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide 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-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287682
2-chloro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848089
(2,6-difluorophenyl)-N-{5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848090
4-chloro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848136
2-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848137
(2-chlorophenyl)-N-{5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848140
2-chloro-N-[5-[2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848192
2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 56848250
2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 56848298
2-methyl-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 88576608
1-[(2-chlorophenyl)methyl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2091496
1-[(2-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2124745

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 158919361) is 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccc(Cl)cc2)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is JHQIUMNXIKCNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4OS.C15H10F4N4OS/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-2-4-9(16)5-3-8;1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16/h2*2-7H,1H3,(H,20,21,24).
What are the key properties of 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 757.12 g/mol, XLogP of 8.42, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 158919361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).