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

C14H15F3N4OS — CID 129353225

IUPAC5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)s1
InChIInChI=1S/C14H15F3N4OS/c1-8-2-4-10(23-8)13(22)18-6-12-20-19-11-5-3-9(7-21(11)12)14(15,16)17/h2,4,9H,3,5-7H2,1H3,(H,18,22)/t9-/m0/s1
InChIKeyIPRZYTCIHLVKFC-VIFPVBQESA-N
MW344.36 g/mol
LogP2.70
Rot. Bonds3

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

5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 129353225) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID129353225
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)s1
InChIInChI=1S/C14H15F3N4OS/c1-8-2-4-10(23-8)13(22)18-6-12-20-19-11-5-3-9(7-21(11)12)14(15,16)17/h2,4,9H,3,5-7H2,1H3,(H,18,22)/t9-/m0/s1
InChIKeyIPRZYTCIHLVKFC-VIFPVBQESA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 129353221
N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
CID 129353183
4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 119104825
7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 119104814
2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 121022006
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 119104829
1-cyano-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutane-1-carboxamide
CID 136516050
3-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756
5-methyl-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]thiophene-2-carboxamide
CID 91893488
3-ethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentan-1-amine
CID 71929251
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (CID 129353225) is 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)s1.
What is the InChIKey of 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IPRZYTCIHLVKFC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-8-2-4-10(23-8)13(22)18-6-12-20-19-11-5-3-9(7-21(11)12)14(15,16)17/h2,4,9H,3,5-7H2,1H3,(H,18,22)/t9-/m0/s1.
What are the key properties of 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 129353225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).