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

C16H13F3N4OS — CID 88576608

IUPAC2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C16H13F3N4OS/c1-9-5-3-4-6-10(9)14(24)21-15-20-8-12(25-15)11-7-13(16(17,18)19)22-23(11)2/h3-8H,1-2H3,(H,20,21,24)
InChIKeyJCKHGGUFNSCJBF-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.12
Rot. Bonds3

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

2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 88576608) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID88576608
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C16H13F3N4OS/c1-9-5-3-4-6-10(9)14(24)21-15-20-8-12(25-15)11-7-13(16(17,18)19)22-23(11)2/h3-8H,1-2H3,(H,20,21,24)
InChIKeyJCKHGGUFNSCJBF-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 2498860
N-(5-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2576311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 88576608) is 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cc1ccccc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is JCKHGGUFNSCJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-9-5-3-4-6-10(9)14(24)21-15-20-8-12(25-15)11-7-13(16(17,18)19)22-23(11)2/h3-8H,1-2H3,(H,20,21,24).
What are the key properties of 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 366.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 88576608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).