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

C11H8F3N7OS — CID 56866135

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nn3cnnc3)cs2)n1
InChIInChI=1S/C11H8F3N7OS/c1-6-2-8(11(12,13)14)21(18-6)10-17-7(3-23-10)9(22)19-20-4-15-16-5-20/h2-5H,1H3,(H,19,22)
InChIKeyOEGXLQBLIGTNBM-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.63
Rot. Bonds3

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

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56866135) has the molecular formula C11H8F3N7OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID56866135
Molecular FormulaC11H8F3N7OS
Molecular Weight343.29 g/mol
Exact Mass343.05
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nn3cnnc3)cs2)n1
InChIInChI=1S/C11H8F3N7OS/c1-6-2-8(11(12,13)14)21(18-6)10-17-7(3-23-10)9(22)19-20-4-15-16-5-20/h2-5H,1H3,(H,19,22)
InChIKeyOEGXLQBLIGTNBM-UHFFFAOYSA-N
XLogP1.63
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide (CID 56866135) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nn3cnnc3)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OEGXLQBLIGTNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7OS/c1-6-2-8(11(12,13)14)21(18-6)10-17-7(3-23-10)9(22)19-20-4-15-16-5-20/h2-5H,1H3,(H,19,22).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56866135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).