5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile

C13H10N2OS — CID 14222609

IUPAC5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile
SMILESCC(=O)c1sc(N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H10N2OS/c1-8(16)12-11(9-5-3-2-4-6-9)10(7-14)13(15)17-12/h2-6H,15H2,1H3
InChIKeyFBIYMZPZXOOCJU-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.07
Rot. Bonds2

About 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile

5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile (PubChem CID 14222609) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile
PubChem CID14222609
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile
SMILESCC(=O)c1sc(N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C13H10N2OS/c1-8(16)12-11(9-5-3-2-4-6-9)10(7-14)13(15)17-12/h2-6H,15H2,1H3
InChIKeyFBIYMZPZXOOCJU-UHFFFAOYSA-N
XLogP3.07
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

PD 81723
CID 122028
3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 686161
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
(2-Aminothiophen-3-yl)(phenyl)methanone
CID 644720
2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
CID 722048
(2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-p-tolyl-methanone
CID 860207
5-Cyano-3,4-diphenylthiophene-2-carboxamide
CID 2740149
(2-Amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone
CID 859630
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-phenylmethanone
CID 44301744
3-benzoyl-4H,5H,6H-cyclopenta[b]thiophen-2-amine
CID 14241840
2-Amino-3-benzoyl-5-methylthiophen
CID 859621

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile?
The IUPAC name of 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile (CID 14222609) is 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile is CC(=O)c1sc(N)c(C#N)c1-c1ccccc1.
What is the InChIKey of 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile?
The InChIKey is FBIYMZPZXOOCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8(16)12-11(9-5-3-2-4-6-9)10(7-14)13(15)17-12/h2-6H,15H2,1H3.
What are the key properties of 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile?
5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-4-phenylthiophene-3-carbonitrile is sourced from PubChem (CID 14222609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).