(5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one

C16H15N3OS — CID 135535982

IUPAC(5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\NC(=O)/C(=C/c2cccn2C)S1
InChIInChI=1S/C16H15N3OS/c1-11-6-3-4-8-13(11)17-16-18-15(20)14(21-16)10-12-7-5-9-19(12)2/h3-10H,1-2H3,(H,17,18,20)/b14-10-
InChIKeyMXOCRJFHQPCTNY-UVTDQMKNSA-N
MW297.38 g/mol
LogP3.23
Rot. Bonds2

About (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135535982) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135535982
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name(5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\NC(=O)/C(=C/c2cccn2C)S1
InChIInChI=1S/C16H15N3OS/c1-11-6-3-4-8-13(11)17-16-18-15(20)14(21-16)10-12-7-5-9-19(12)2/h3-10H,1-2H3,(H,17,18,20)/b14-10-
InChIKeyMXOCRJFHQPCTNY-UVTDQMKNSA-N
XLogP3.23
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one 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 (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 135535982) is (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cccn2C)S1.
What is the InChIKey of (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is MXOCRJFHQPCTNY-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-6-3-4-8-13(11)17-16-18-15(20)14(21-16)10-12-7-5-9-19(12)2/h3-10H,1-2H3,(H,17,18,20)/b14-10-.
What are the key properties of (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-methylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135535982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).