(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

C20H15N3O2S — CID 134142060

IUPAC(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccn2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C20H15N3O2S/c24-19-18(13-16-9-4-5-11-21-16)26-20(22-15-7-2-1-3-8-15)23(19)14-17-10-6-12-25-17/h1-13H,14H2/b18-13-,22-20-
InChIKeyLTMJYKWEUPXRRS-GTFONSFASA-N
MW361.43 g/mol
LogP4.48
Rot. Bonds4

About (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 134142060) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID134142060
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccccn2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C20H15N3O2S/c24-19-18(13-16-9-4-5-11-21-16)26-20(22-15-7-2-1-3-8-15)23(19)14-17-10-6-12-25-17/h1-13H,14H2/b18-13-,22-20-
InChIKeyLTMJYKWEUPXRRS-GTFONSFASA-N
XLogP4.48
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.48
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'}

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Related Compounds

5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310757
3-(2-Furylmethyl)-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1372564
(5Z)-1-(furan-2-ylmethyl)-5-{[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1853245
2-[2-(2,5-Dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
CID 2490206
4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 2998728
3-(2-Furylmethyl)-2-(4-pyridinyl)-1,3-thiazolidin-4-one
CID 2999932
3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 3673827
5-[[2,5-Dimethyl-1-(4-methyl-2-pyridinyl)pyrrol-3-yl]methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 4533359
4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride
CID 11834426
(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127031375
(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127031376
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 744557

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 134142060) is (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccn2)S/C(=N\c2ccccc2)N1Cc1ccco1.
What is the InChIKey of (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is LTMJYKWEUPXRRS-GTFONSFASA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-19-18(13-16-9-4-5-11-21-16)26-20(22-15-7-2-1-3-8-15)23(19)14-17-10-6-12-25-17/h1-13H,14H2/b18-13-,22-20-.
What are the key properties of (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 361.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134142060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).