1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine

C14H11ClN4S — CID 21055058

IUPAC1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
SMILESNc1nc(-c2ccsc2)cn1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4S/c15-12-3-1-10(2-4-12)7-17-19-8-13(18-14(19)16)11-5-6-20-9-11/h1-9H,(H2,16,18)/b17-7+
InChIKeyKCZGRSVXYMKFFG-REZTVBANSA-N
MW302.79 g/mol
LogP3.73
Rot. Bonds3

About 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine

1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine (PubChem CID 21055058) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
PubChem CID21055058
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
SMILESNc1nc(-c2ccsc2)cn1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4S/c15-12-3-1-10(2-4-12)7-17-19-8-13(18-14(19)16)11-5-6-20-9-11/h1-9H,(H2,16,18)/b17-7+
InChIKeyKCZGRSVXYMKFFG-REZTVBANSA-N
XLogP3.73
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine 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 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
The IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine (CID 21055058) is 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine is Nc1nc(-c2ccsc2)cn1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
The InChIKey is KCZGRSVXYMKFFG-REZTVBANSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-12-3-1-10(2-4-12)7-17-19-8-13(18-14(19)16)11-5-6-20-9-11/h1-9H,(H2,16,18)/b17-7+.
What are the key properties of 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine?
1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine has a molecular weight of 302.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine is sourced from PubChem (CID 21055058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).