(5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

C17H13ClN2O2S — CID 2191136

IUPAC(5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-20-16(22)15(10-11-2-8-14(21)9-3-11)23-17(20)19-13-6-4-12(18)5-7-13/h2-10,21H,1H3/b15-10-,19-17+
InChIKeyKKHJXFCUHRCMDK-QJKHVWQHSA-N
MW344.82 g/mol
LogP4.28
Rot. Bonds2

About (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 2191136) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID2191136
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-20-16(22)15(10-11-2-8-14(21)9-3-11)23-17(20)19-13-6-4-12(18)5-7-13/h2-10,21H,1H3/b15-10-,19-17+
InChIKeyKKHJXFCUHRCMDK-QJKHVWQHSA-N
XLogP4.28
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 ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 2191136) is (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is KKHJXFCUHRCMDK-QJKHVWQHSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-20-16(22)15(10-11-2-8-14(21)9-3-11)23-17(20)19-13-6-4-12(18)5-7-13/h2-10,21H,1H3/b15-10-,19-17+.
What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2191136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).