2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine

C15H12N4OS2 — CID 102460581

IUPAC2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(-c2ccco2)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H12N4OS2/c1-2-21-15-16-13-9-10(12-6-4-8-22-12)18-19(13)14(17-15)11-5-3-7-20-11/h3-9H,2H2,1H3
InChIKeyLJIIRFJOCARLDE-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.22
Rot. Bonds4

About 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine

2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 102460581) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID102460581
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC Name2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCSc1nc(-c2ccco2)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H12N4OS2/c1-2-21-15-16-13-9-10(12-6-4-8-22-12)18-19(13)14(17-15)11-5-3-7-20-11/h3-9H,2H2,1H3
InChIKeyLJIIRFJOCARLDE-UHFFFAOYSA-N
XLogP4.22
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_pyridine_A(1)', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 71517746
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
3-(furan-2-yl)-6-thiophen-2-ylpyridazine
CID 101136658
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
CID 10449071
(7-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-morpholin-4-ylmethanone
CID 53040628
3-[(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316839

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine (CID 102460581) is 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine is CCSc1nc(-c2ccco2)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is LJIIRFJOCARLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS2/c1-2-21-15-16-13-9-10(12-6-4-8-22-12)18-19(13)14(17-15)11-5-3-7-20-11/h3-9H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine?
2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 328.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 102460581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).