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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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).