3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide

C15H12F3N5OS — CID 58416208

IUPAC3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C15H12F3N5OS/c1-9-12(25-13(21-9)10-3-2-5-19-7-10)11-4-6-23(22-11)14(24)20-8-15(16,17)18/h2-7H,8H2,1H3,(H,20,24)
InChIKeyPPCVWSFNGQDVRA-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.50
Rot. Bonds3

About 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide

3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide (PubChem CID 58416208) has the molecular formula C15H12F3N5OS and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide
PubChem CID58416208
Molecular FormulaC15H12F3N5OS
Molecular Weight367.36 g/mol
Exact Mass367.07
IUPAC Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C15H12F3N5OS/c1-9-12(25-13(21-9)10-3-2-5-19-7-10)11-4-6-23(22-11)14(24)20-8-15(16,17)18/h2-7H,8H2,1H3,(H,20,24)
InChIKeyPPCVWSFNGQDVRA-UHFFFAOYSA-N
XLogP3.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide (CID 58416208) is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide is Cc1nc(-c2cccnc2)sc1-c1ccn(C(=O)NCC(F)(F)F)n1.
What is the InChIKey of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide?
The InChIKey is PPCVWSFNGQDVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS/c1-9-12(25-13(21-9)10-3-2-5-19-7-10)11-4-6-23(22-11)14(24)20-8-15(16,17)18/h2-7H,8H2,1H3,(H,20,24).
What are the key properties of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide?
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(2,2,2-trifluoroethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 58416208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).