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

C17H13ClN2O2S — CID 135620685

IUPAC(5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(O)c3)S2)c(Cl)c1
InChIInChI=1S/C17H13ClN2O2S/c1-10-5-6-14(13(18)7-10)19-17-20-16(22)15(23-17)9-11-3-2-4-12(21)8-11/h2-9,21H,1H3,(H,19,20,22)/b15-9-
InChIKeyBDKFFRYDVRAWNW-DHDCSXOGSA-N
MW344.82 g/mol
LogP4.25
Rot. Bonds2

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

(5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135620685) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135620685
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(O)c3)S2)c(Cl)c1
InChIInChI=1S/C17H13ClN2O2S/c1-10-5-6-14(13(18)7-10)19-17-20-16(22)15(23-17)9-11-3-2-4-12(21)8-11/h2-9,21H,1H3,(H,19,20,22)/b15-9-
InChIKeyBDKFFRYDVRAWNW-DHDCSXOGSA-N
XLogP4.25
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
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-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135620685) is (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(O)c3)S2)c(Cl)c1.
What is the InChIKey of (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BDKFFRYDVRAWNW-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-10-5-6-14(13(18)7-10)19-17-20-16(22)15(23-17)9-11-3-2-4-12(21)8-11/h2-9,21H,1H3,(H,19,20,22)/b15-9-.
What are the key properties of (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chloro-4-methylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135620685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).