3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide

C14H14N4OS — CID 7694192

IUPAC3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C14H14N4OS/c1-10-6-9-20-13(10)14(19)15-7-5-12-17-16-11-4-2-3-8-18(11)12/h2-4,6,8-9H,5,7H2,1H3,(H,15,19)
InChIKeyCBOLKEGREJCYBW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.07
Rot. Bonds4

About 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide

3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 7694192) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID7694192
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C14H14N4OS/c1-10-6-9-20-13(10)14(19)15-7-5-12-17-16-11-4-2-3-8-18(11)12/h2-4,6,8-9H,5,7H2,1H3,(H,15,19)
InChIKeyCBOLKEGREJCYBW-UHFFFAOYSA-N
XLogP2.07
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2S)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603842
Mark-IN-4
CID 68776463
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
1-acetyl-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
CID 2980597
1-[3-Pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
CID 3978169
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337
2-[[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2622550
1-[3-Pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one
CID 4011449
(5-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-yl-methanone
CID 18677544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide (CID 7694192) is 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCCc1nnc2ccccn12.
What is the InChIKey of 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CBOLKEGREJCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10-6-9-20-13(10)14(19)15-7-5-12-17-16-11-4-2-3-8-18(11)12/h2-4,6,8-9H,5,7H2,1H3,(H,15,19).
What are the key properties of 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7694192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).