2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide

C13H14F3N5OS — CID 121022025

IUPAC2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2nnc3n2CCC(C(F)(F)F)C3)cs1
InChIInChI=1S/C13H14F3N5OS/c1-7-18-9(6-23-7)12(22)17-5-11-20-19-10-4-8(13(14,15)16)2-3-21(10)11/h6,8H,2-5H2,1H3,(H,17,22)
InChIKeyCQICZZDOSRPJKV-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 121022025) has the molecular formula C13H14F3N5OS and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID121022025
Molecular FormulaC13H14F3N5OS
Molecular Weight345.35 g/mol
Exact Mass345.09
IUPAC Name2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2nnc3n2CCC(C(F)(F)F)C3)cs1
InChIInChI=1S/C13H14F3N5OS/c1-7-18-9(6-23-7)12(22)17-5-11-20-19-10-4-8(13(14,15)16)2-3-21(10)11/h6,8H,2-5H2,1H3,(H,17,22)
InChIKeyCQICZZDOSRPJKV-UHFFFAOYSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 121022025) is 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2nnc3n2CCC(C(F)(F)F)C3)cs1.
What is the InChIKey of 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CQICZZDOSRPJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5OS/c1-7-18-9(6-23-7)12(22)17-5-11-20-19-10-4-8(13(14,15)16)2-3-21(10)11/h6,8H,2-5H2,1H3,(H,17,22).
What are the key properties of 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121022025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).