[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone

C17H13N5O2S — CID 3441024

IUPAC[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)n1nc(-c2ccco2)nc1NCc1cccs1
InChIInChI=1S/C17H13N5O2S/c23-16(13-6-1-2-8-18-13)22-17(19-11-12-5-4-10-25-12)20-15(21-22)14-7-3-9-24-14/h1-10H,11H2,(H,19,20,21)
InChIKeyFCOLXIYAGVKAGT-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.30
Rot. Bonds5

About [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone

[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone (PubChem CID 3441024) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone
PubChem CID3441024
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)n1nc(-c2ccco2)nc1NCc1cccs1
InChIInChI=1S/C17H13N5O2S/c23-16(13-6-1-2-8-18-13)22-17(19-11-12-5-4-10-25-12)20-15(21-22)14-7-3-9-24-14/h1-10H,11H2,(H,19,20,21)
InChIKeyFCOLXIYAGVKAGT-UHFFFAOYSA-N
XLogP3.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(2-Furanyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone
CID 2981331
3-(2-Furyl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665718
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1101933
2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125423
N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282426
Furan-2-ylmethyl-[(1-phenethyl-1H-tetrazol-5-yl)-pyridin-2-yl-methyl]-thiophen-2-ylmethyl-amine
CID 650607
5-Thiophen-2-yl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 654450
2-(4-Furan-2-ylmethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1733898
N-(2-furylmethyl)-3-(3-pyridinyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 2979683
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
2-(furan-2-yl)-5-N-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 11211490
N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide
CID 25099116

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone (CID 3441024) is [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)n1nc(-c2ccco2)nc1NCc1cccs1.
What is the InChIKey of [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone?
The InChIKey is FCOLXIYAGVKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-16(13-6-1-2-8-18-13)22-17(19-11-12-5-4-10-25-12)20-15(21-22)14-7-3-9-24-14/h1-10H,11H2,(H,19,20,21).
What are the key properties of [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone?
[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone has a molecular weight of 351.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 3441024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).