(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

C21H18N2O3S — CID 27436593

IUPAC(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)S/C1=N/c1ccc(O)cc1
InChIInChI=1S/C21H18N2O3S/c1-2-23-20(25)19(27-21(23)22-16-7-9-17(24)10-8-16)12-14-11-15-5-3-4-6-18(15)26-13-14/h3-12,24H,2,13H2,1H3/b19-12-,22-21+
InChIKeyHNRYFAGFCMEDCC-NXCZOFCGSA-N
MW378.45 g/mol
LogP4.33
Rot. Bonds3

About (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 27436593) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID27436593
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)S/C1=N/c1ccc(O)cc1
InChIInChI=1S/C21H18N2O3S/c1-2-23-20(25)19(27-21(23)22-16-7-9-17(24)10-8-16)12-14-11-15-5-3-4-6-18(15)26-13-14/h3-12,24H,2,13H2,1H3/b19-12-,22-21+
InChIKeyHNRYFAGFCMEDCC-NXCZOFCGSA-N
XLogP4.33
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
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

(5Z)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27436574
4-[[(5Z)-5-(2H-chromen-3-ylmethylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid
CID 27433062
(5Z)-3-ethyl-5-[(3-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27408833
5-(2H-chromen-3-ylmethylidene)-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3824425
2-[2-[(Z)-[3-ethyl-2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43861571
(5Z)-3-ethyl-2-(4-hydroxyphenyl)imino-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 27436563
(5E)-5-[(4-hydroxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one
CID 9484669
(3E)-3-(2H-chromen-3-ylmethylidene)-1-ethylindol-2-one
CID 126211427
5-(2H-chromen-3-ylmethylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5190084
(5Z)-3-ethyl-2-(3-hydroxyphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 27436477
(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486703
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-[(2R)-2-ethylhexyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40605576

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 27436593) is (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)S/C1=N/c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is HNRYFAGFCMEDCC-NXCZOFCGSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-2-23-20(25)19(27-21(23)22-16-7-9-17(24)10-8-16)12-14-11-15-5-3-4-6-18(15)26-13-14/h3-12,24H,2,13H2,1H3/b19-12-,22-21+.
What are the key properties of (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 378.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2H-chromen-3-ylmethylidene)-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 27436593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).