2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

C14H9F3N4OS — CID 1498195

IUPAC2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)11-6-9(8-4-2-1-3-5-8)20-21(11)13-19-10(7-23-13)12(18)22/h1-7H,(H2,18,22)
InChIKeyZBNROAZIPKTIAY-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.11
Rot. Bonds3

About 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 1498195) has the molecular formula C14H9F3N4OS and a molecular weight of 338.31 g/mol. Its IUPAC name is 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID1498195
Molecular FormulaC14H9F3N4OS
Molecular Weight338.31 g/mol
Exact Mass338.04
IUPAC Name2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)11-6-9(8-4-2-1-3-5-8)20-21(11)13-19-10(7-23-13)12(18)22/h1-7H,(H2,18,22)
InChIKeyZBNROAZIPKTIAY-UHFFFAOYSA-N
XLogP3.11
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 1498195) is 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1.
What is the InChIKey of 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZBNROAZIPKTIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS/c15-14(16,17)11-6-9(8-4-2-1-3-5-8)20-21(11)13-19-10(7-23-13)12(18)22/h1-7H,(H2,18,22).
What are the key properties of 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1498195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).