(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

C20H19ClN2OS — CID 70684317

IUPAC(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1ccccc1
InChIInChI=1S/C20H19ClN2OS/c1-14(2)13-23-19(24)18(12-15-7-6-8-16(21)11-15)25-20(23)22-17-9-4-3-5-10-17/h3-12,14H,13H2,1-2H3/b18-12-,22-20+
InChIKeyABCHDNIRQCIPSM-CFDZAGTRSA-N
MW370.91 g/mol
LogP5.60
Rot. Bonds4

About (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 70684317) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID70684317
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1ccccc1
InChIInChI=1S/C20H19ClN2OS/c1-14(2)13-23-19(24)18(12-15-7-6-8-16(21)11-15)25-20(23)22-17-9-4-3-5-10-17/h3-12,14H,13H2,1-2H3/b18-12-,22-20+
InChIKeyABCHDNIRQCIPSM-CFDZAGTRSA-N
XLogP5.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(5E)-2-[(2-chlorophenyl)amino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one
CID 135442979
(Z,Z)-5-Benzylidene-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236806
(5E)-5-benzylidene-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 54583721
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70682391
(5Z)-5-[(4-ethylphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70684318
5-(4-Chlorobenzylidene)-2-{[4-(dimethylamino)phenyl]imino}-1,3-thiazolidin-4-one
CID 135971380
2-(3-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135665679
2-(2-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135700427
(2E,5Z)-3-Cyclohexyl-2-(phenylimino)-5-(phenylmethylidene)-1,3-thiazolidin-4-one
CID 13433291
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-hydroxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 44436935
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 44436939
(Z,Z)-5-(2-Chloro-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46237047

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 70684317) is (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is ABCHDNIRQCIPSM-CFDZAGTRSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-14(2)13-23-19(24)18(12-15-7-6-8-16(21)11-15)25-20(23)22-17-9-4-3-5-10-17/h3-12,14H,13H2,1-2H3/b18-12-,22-20+.
What are the key properties of (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 370.91 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 70684317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).