(Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine

C14H17N3S — CID 143186760

IUPAC(Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine
SMILESCc1ccc(/C(N)=C/N(N)Cc2ccccc2)s1
InChIInChI=1S/C14H17N3S/c1-11-7-8-14(18-11)13(15)10-17(16)9-12-5-3-2-4-6-12/h2-8,10H,9,15-16H2,1H3/b13-10-
InChIKeyFUIMPYQVEJJUEJ-RAXLEYEMSA-N
MW259.38 g/mol
LogP2.69
Rot. Bonds4

About (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine

(Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine (PubChem CID 143186760) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine
PubChem CID143186760
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name(Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine
SMILESCc1ccc(/C(N)=C/N(N)Cc2ccccc2)s1
InChIInChI=1S/C14H17N3S/c1-11-7-8-14(18-11)13(15)10-17(16)9-12-5-3-2-4-6-12/h2-8,10H,9,15-16H2,1H3/b13-10-
InChIKeyFUIMPYQVEJJUEJ-RAXLEYEMSA-N
XLogP2.69
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine 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 (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine?
The IUPAC name of (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine (CID 143186760) is (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine.
What is the SMILES notation for (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine?
The canonical SMILES for (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine is Cc1ccc(/C(N)=C/N(N)Cc2ccccc2)s1.
What is the InChIKey of (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine?
The InChIKey is FUIMPYQVEJJUEJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-7-8-14(18-11)13(15)10-17(16)9-12-5-3-2-4-6-12/h2-8,10H,9,15-16H2,1H3/b13-10-.
What are the key properties of (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine?
(Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine has a molecular weight of 259.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(benzyl)amino]-1-(5-methylthiophen-2-yl)ethenamine is sourced from PubChem (CID 143186760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).