1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine

C12H10ClNS — CID 86221310

IUPAC1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H10ClNS/c1-9-2-4-10(5-3-9)14-8-11-6-7-12(13)15-11/h2-8H,1H3/b14-8+
InChIKeyIKBLFZZBEXZXLV-RIYZIHGNSA-N
MW235.74 g/mol
LogP4.46
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine

1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine (PubChem CID 86221310) has the molecular formula C12H10ClNS and a molecular weight of 235.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine
PubChem CID86221310
Molecular FormulaC12H10ClNS
Molecular Weight235.74 g/mol
Exact Mass235.02
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H10ClNS/c1-9-2-4-10(5-3-9)14-8-11-6-7-12(13)15-11/h2-8H,1H3/b14-8+
InChIKeyIKBLFZZBEXZXLV-RIYZIHGNSA-N
XLogP4.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine 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-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine (CID 86221310) is 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2ccc(Cl)s2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine?
The InChIKey is IKBLFZZBEXZXLV-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10ClNS/c1-9-2-4-10(5-3-9)14-8-11-6-7-12(13)15-11/h2-8H,1H3/b14-8+.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine?
1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine has a molecular weight of 235.74 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 86221310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).