3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile

C14H10N2S3 — CID 62502736

IUPAC3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESCc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)s1
InChIInChI=1S/C14H10N2S3/c1-8-4-5-10(18-8)14-12(9-3-2-6-17-9)13(16)11(7-15)19-14/h2-6H,16H2,1H3
InChIKeyFIYVKEQTTBTFBY-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.97
Rot. Bonds2

About 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile

3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile (PubChem CID 62502736) has the molecular formula C14H10N2S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
PubChem CID62502736
Molecular FormulaC14H10N2S3
Molecular Weight302.45 g/mol
Exact Mass302.00
IUPAC Name3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESCc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)s1
InChIInChI=1S/C14H10N2S3/c1-8-4-5-10(18-8)14-12(9-3-2-6-17-9)13(16)11(7-15)19-14/h2-6H,16H2,1H3
InChIKeyFIYVKEQTTBTFBY-UHFFFAOYSA-N
XLogP4.97
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile (CID 62502736) is 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile is Cc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)s1.
What is the InChIKey of 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The InChIKey is FIYVKEQTTBTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S3/c1-8-4-5-10(18-8)14-12(9-3-2-6-17-9)13(16)11(7-15)19-14/h2-6H,16H2,1H3.
What are the key properties of 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile?
3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile has a molecular weight of 302.45 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile is sourced from PubChem (CID 62502736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).