(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one

C17H13ClN2O2S — CID 46238365

IUPAC(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c1-19-17-20(12-5-3-2-4-6-12)16(22)15(23-17)10-11-7-8-14(21)13(18)9-11/h2-10,21H,1H3/b15-10-,19-17-
InChIKeyXHXNBCDPRREGSH-VUDPKCRPSA-N
MW344.82 g/mol
LogP4.15
Rot. Bonds2

About (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 46238365) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
PubChem CID46238365
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c1-19-17-20(12-5-3-2-4-6-12)16(22)15(23-17)10-11-7-8-14(21)13(18)9-11/h2-10,21H,1H3/b15-10-,19-17-
InChIKeyXHXNBCDPRREGSH-VUDPKCRPSA-N
XLogP4.15
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one
CID 24956674
5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
CID 72569161
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236404
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chloro-4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236523
5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 1231613
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251768
(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 6863533
(5E)-3-(3-bromophenyl)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126212704
2-chloro-N-[5-(naphthalen-2-ylmethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzamide
CID 139669989
(5Z)-2-butylimino-5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 11441818
(5E)-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126087091
5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 1233189

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one (CID 46238365) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one is C/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is XHXNBCDPRREGSH-VUDPKCRPSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-19-17-20(12-5-3-2-4-6-12)16(22)15(23-17)10-11-7-8-14(21)13(18)9-11/h2-10,21H,1H3/b15-10-,19-17-.
What are the key properties of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46238365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).