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

C13H8N2O2S2 — CID 2821095

IUPAC4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccon2)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H8N2O2S2/c1-18-13-8(7-14)11(10-3-2-5-16-10)12(19-13)9-4-6-17-15-9/h2-6H,1H3
InChIKeyCWWYSNPXEXYFEI-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.26
Rot. Bonds3

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

4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile (PubChem CID 2821095) 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-3-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile
PubChem CID2821095
Molecular FormulaC13H8N2O2S2
Molecular Weight288.35 g/mol
Exact Mass288.00
IUPAC Name4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile
SMILESCSc1sc(-c2ccon2)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H8N2O2S2/c1-18-13-8(7-14)11(10-3-2-5-16-10)12(19-13)9-4-6-17-15-9/h2-6H,1H3
InChIKeyCWWYSNPXEXYFEI-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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Related Compounds

2-Methylsulfanyl-5-(1,2-oxazol-3-yl)-4-phenylthiophene-3-carbonitrile
CID 2821090
2-Methylsulfanyl-5-(1,2-oxazol-3-yl)-4-thiophen-2-ylthiophene-3-carbonitrile
CID 2821094
4-(Furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-5-yl)thiophene-3-carbonitrile
CID 21039595
4-Methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole
CID 126656948
3-Methyl-4-[2-[3-[2-(4-methylfuran-3-yl)ethyl]thiophen-2-yl]ethyl]-1,2-oxazole
CID 126656953
3-[2-(Furan-2-yl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62502226
3-(5-Methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 114821375

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile (CID 2821095) is 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile is CSc1sc(-c2ccon2)c(-c2ccco2)c1C#N.
What is the InChIKey of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile?
The InChIKey is CWWYSNPXEXYFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S2/c1-18-13-8(7-14)11(10-3-2-5-16-10)12(19-13)9-4-6-17-15-9/h2-6H,1H3.
What are the key properties of 4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile?
4-(furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-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-3-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 2821095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).