2-[(5-methylthiophen-2-yl)methylideneamino]benzamide

C13H12N2OS — CID 681119

IUPAC2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccccc2C(N)=O)s1
InChIInChI=1S/C13H12N2OS/c1-9-6-7-10(17-9)8-15-12-5-3-2-4-11(12)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+
InChIKeyVIKMQPPCYDUCPA-OVCLIPMQSA-N
MW244.32 g/mol
LogP2.91
Rot. Bonds3

About 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide

2-[(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 681119) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID681119
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccccc2C(N)=O)s1
InChIInChI=1S/C13H12N2OS/c1-9-6-7-10(17-9)8-15-12-5-3-2-4-11(12)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+
InChIKeyVIKMQPPCYDUCPA-OVCLIPMQSA-N
XLogP2.91
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide 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 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 681119) is 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/c2ccccc2C(N)=O)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is VIKMQPPCYDUCPA-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-6-7-10(17-9)8-15-12-5-3-2-4-11(12)13(14)16/h2-8H,1H3,(H2,14,16)/b15-8+.
What are the key properties of 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
2-[(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 244.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 681119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).