4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile

C13H8N2O2S2 — CID 21039595

IUPAC4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccno2)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H8N2O2S2/c1-18-13-8(7-14)11(9-3-2-6-16-9)12(19-13)10-4-5-15-17-10/h2-6H,1H3
InChIKeyVPMSWQDBZXKMCZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.26
Rot. Bonds3

About 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile

4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile (PubChem CID 21039595) has the molecular formula C13H8N2O2S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile
PubChem CID21039595
Molecular FormulaC13H8N2O2S2
Molecular Weight288.35 g/mol
Exact Mass288.00
IUPAC Name4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccno2)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H8N2O2S2/c1-18-13-8(7-14)11(9-3-2-6-16-9)12(19-13)10-4-5-15-17-10/h2-6H,1H3
InChIKeyVPMSWQDBZXKMCZ-UHFFFAOYSA-N
XLogP4.26
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile (CID 21039595) is 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile is CSc1sc(-c2ccno2)c(-c2ccco2)c1C#N.
What is the InChIKey of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile?
The InChIKey is VPMSWQDBZXKMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S2/c1-18-13-8(7-14)11(9-3-2-6-16-9)12(19-13)10-4-5-15-17-10/h2-6H,1H3.
What are the key properties of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile?
4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 21039595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).