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

C15H11F3N4O2S — CID 18126401

IUPAC5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)s1
InChIInChI=1S/C15H11F3N4O2S/c1-8(23)10-3-4-11(25-10)14(24)19-6-13-21-20-12-5-2-9(7-22(12)13)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)
InChIKeyANBGMUGEVDPZOE-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.94
Rot. Bonds4

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

5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 18126401) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID18126401
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)s1
InChIInChI=1S/C15H11F3N4O2S/c1-8(23)10-3-4-11(25-10)14(24)19-6-13-21-20-12-5-2-9(7-22(12)13)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24)
InChIKeyANBGMUGEVDPZOE-UHFFFAOYSA-N
XLogP2.94
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (CID 18126401) is 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)s1.
What is the InChIKey of 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ANBGMUGEVDPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c1-8(23)10-3-4-11(25-10)14(24)19-6-13-21-20-12-5-2-9(7-22(12)13)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,24).
What are the key properties of 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18126401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).