2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile

C13H12N2OS — CID 82478583

IUPAC2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile
SMILESCSc1ccc(-c2c(C)oc(N)c2C#N)cc1
InChIInChI=1S/C13H12N2OS/c1-8-12(11(7-14)13(15)16-8)9-3-5-10(17-2)6-4-9/h3-6H,15H2,1-2H3
InChIKeyZXYIAZIGFWHKKI-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.43
Rot. Bonds2

About 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile

2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile (PubChem CID 82478583) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile
PubChem CID82478583
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile
SMILESCSc1ccc(-c2c(C)oc(N)c2C#N)cc1
InChIInChI=1S/C13H12N2OS/c1-8-12(11(7-14)13(15)16-8)9-3-5-10(17-2)6-4-9/h3-6H,15H2,1-2H3
InChIKeyZXYIAZIGFWHKKI-UHFFFAOYSA-N
XLogP3.43
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile
CID 82475747
2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
CID 96667603
2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-amino-6-methoxy-4-(4-methylsulfanylphenyl)pyridin-1-ium-3,5-dicarbonitrile
CID 7455654
2-amino-4-(2,4-difluorophenyl)-5-methylfuran-3-carbonitrile
CID 82475748
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172
2-amino-4-(4-ethylphenyl)-5-(2-fluorophenyl)furan-3-carbonitrile
CID 58016865
2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile
CID 82481204
2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5230491
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile
CID 82482561
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile (CID 82478583) is 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile is CSc1ccc(-c2c(C)oc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile?
The InChIKey is ZXYIAZIGFWHKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-8-12(11(7-14)13(15)16-8)9-3-5-10(17-2)6-4-9/h3-6H,15H2,1-2H3.
What are the key properties of 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile?
2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile is sourced from PubChem (CID 82478583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).