(5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one

C19H11ClN2O3S — CID 155531374

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc3oc(=O)ccc3c2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN2O3S/c20-13-4-1-11(2-5-13)9-16-18(24)22-19(26-16)21-14-6-7-15-12(10-14)3-8-17(23)25-15/h1-10H,(H,21,22,24)/b16-9+
InChIKeyVJCSKCRTROHSRP-CXUHLZMHSA-N
MW382.83 g/mol
LogP4.34
Rot. Bonds2

About (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one

(5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one (PubChem CID 155531374) has the molecular formula C19H11ClN2O3S and a molecular weight of 382.83 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one
PubChem CID155531374
Molecular FormulaC19H11ClN2O3S
Molecular Weight382.83 g/mol
Exact Mass382.02
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc3oc(=O)ccc3c2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN2O3S/c20-13-4-1-11(2-5-13)9-16-18(24)22-19(26-16)21-14-6-7-15-12(10-14)3-8-17(23)25-15/h1-10H,(H,21,22,24)/b16-9+
InChIKeyVJCSKCRTROHSRP-CXUHLZMHSA-N
XLogP4.34
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(4-chlorophenyl)methylidene]-2-(3,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136782340
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135957458
(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062975
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
(5E)-2-(4-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782250
(5Z)-2-(4-chlorophenyl)imino-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137043407
(5Z)-5-[(4-fluorophenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135602947
5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459321
(5E)-2-(4-chlorophenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135642697
2-(4-butylphenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135483163
(5Z)-2-(4-chlorophenyl)imino-5-[(4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137074156
4-[(Z)-[2-(3-chloro-4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766166

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one (CID 155531374) is (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc3oc(=O)ccc3c2)S/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one?
The InChIKey is VJCSKCRTROHSRP-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H11ClN2O3S/c20-13-4-1-11(2-5-13)9-16-18(24)22-19(26-16)21-14-6-7-15-12(10-14)3-8-17(23)25-15/h1-10H,(H,21,22,24)/b16-9+.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one has a molecular weight of 382.83 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]-2-(2-oxochromen-6-yl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 155531374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).