3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile

C16H12N2OS — CID 114822825

IUPAC3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile
SMILESCc1cc(-c2sc(C#N)c(N)c2-c2ccccc2)co1
InChIInChI=1S/C16H12N2OS/c1-10-7-12(9-19-10)16-14(11-5-3-2-4-6-11)15(18)13(8-17)20-16/h2-7,9H,18H2,1H3
InChIKeyWEDFNTSKARLKME-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.44
Rot. Bonds2

About 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile

3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile (PubChem CID 114822825) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile
PubChem CID114822825
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile
SMILESCc1cc(-c2sc(C#N)c(N)c2-c2ccccc2)co1
InChIInChI=1S/C16H12N2OS/c1-10-7-12(9-19-10)16-14(11-5-3-2-4-6-11)15(18)13(8-17)20-16/h2-7,9H,18H2,1H3
InChIKeyWEDFNTSKARLKME-UHFFFAOYSA-N
XLogP4.44
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
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3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile
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2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
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3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62501566
3-amino-5-(4-fluoro-3-methylphenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 63211779
3-amino-5-(3-bromophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62502909
3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 749426
3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 81125897
3-amino-5-methyl-4-(4-propan-2-ylphenyl)thiophene-2-carbonitrile
CID 82120575
3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 80523309

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile (CID 114822825) is 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile is Cc1cc(-c2sc(C#N)c(N)c2-c2ccccc2)co1.
What is the InChIKey of 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile?
The InChIKey is WEDFNTSKARLKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-10-7-12(9-19-10)16-14(11-5-3-2-4-6-11)15(18)13(8-17)20-16/h2-7,9H,18H2,1H3.
What are the key properties of 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile?
3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile has a molecular weight of 280.35 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile is sourced from PubChem (CID 114822825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).