4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

C13H9N3OS2 — CID 2821108

IUPAC4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccn[nH]2)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H9N3OS2/c1-18-13-8(7-14)11(10-3-2-6-17-10)12(19-13)9-4-5-15-16-9/h2-6H,1H3,(H,15,16)
InChIKeyAWQPAIKDTHDIOF-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.99
Rot. Bonds3

About 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (PubChem CID 2821108) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
PubChem CID2821108
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccn[nH]2)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H9N3OS2/c1-18-13-8(7-14)11(10-3-2-6-17-10)12(19-13)9-4-5-15-16-9/h2-6H,1H3,(H,15,16)
InChIKeyAWQPAIKDTHDIOF-UHFFFAOYSA-N
XLogP3.99
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (CID 2821108) is 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is CSc1sc(-c2ccn[nH]2)c(-c2ccco2)c1C#N.
What is the InChIKey of 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The InChIKey is AWQPAIKDTHDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c1-18-13-8(7-14)11(10-3-2-6-17-10)12(19-13)9-4-5-15-16-9/h2-6H,1H3,(H,15,16).
What are the key properties of 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methylsulfanyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 2821108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).