(5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

C15H12N2O3S — CID 135418649

IUPAC(5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccco3)S2)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-11-6-4-10(5-7-11)16-15-17-14(18)13(21-15)9-12-3-2-8-20-12/h2-9H,1H3,(H,16,17,18)/b13-9-
InChIKeyKGSRWXSYHTYCIB-LCYFTJDESA-N
MW300.34 g/mol
LogP3.18
Rot. Bonds3

About (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135418649) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135418649
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccco3)S2)cc1
InChIInChI=1S/C15H12N2O3S/c1-19-11-6-4-10(5-7-11)16-15-17-14(18)13(21-15)9-12-3-2-8-20-12/h2-9H,1H3,(H,16,17,18)/b13-9-
InChIKeyKGSRWXSYHTYCIB-LCYFTJDESA-N
XLogP3.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-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)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135418649) is (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)/C(=C/c3ccco3)S2)cc1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is KGSRWXSYHTYCIB-LCYFTJDESA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-11-6-4-10(5-7-11)16-15-17-14(18)13(21-15)9-12-3-2-8-20-12/h2-9H,1H3,(H,16,17,18)/b13-9-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135418649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).