(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one

C16H12ClN3O2S — CID 18843718

IUPAC(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1ccncc1Cl
InChIInChI=1S/C16H12ClN3O2S/c1-20-15(21)14(6-2-4-11-5-3-9-22-11)23-16(20)19-13-7-8-18-10-12(13)17/h2-10H,1H3/b4-2+,14-6+,19-16+
InChIKeyQTWZMHWWAOJYGD-ZZAZXOCBSA-N
MW345.81 g/mol
LogP4.12
Rot. Bonds3

About (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one

(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 18843718) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID18843718
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1ccncc1Cl
InChIInChI=1S/C16H12ClN3O2S/c1-20-15(21)14(6-2-4-11-5-3-9-22-11)23-16(20)19-13-7-8-18-10-12(13)17/h2-10H,1H3/b4-2+,14-6+,19-16+
InChIKeyQTWZMHWWAOJYGD-ZZAZXOCBSA-N
XLogP4.12
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-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

Related Compounds

(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844027
(5E)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 18843721
4-[(Z)-[2-[(3-chloro-4-pyridinyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18843723
(5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 18843200
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843704
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843736
2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 135399272
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843739
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843686
(2E,5E)-5-(furan-2-ylmethylidene)-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844230
(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 9486062
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 18843875

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one (CID 18843718) is (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1ccncc1Cl.
What is the InChIKey of (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is QTWZMHWWAOJYGD-ZZAZXOCBSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c1-20-15(21)14(6-2-4-11-5-3-9-22-11)23-16(20)19-13-7-8-18-10-12(13)17/h2-10H,1H3/b4-2+,14-6+,19-16+.
What are the key properties of (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one?
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 345.81 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).