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

C20H19ClN2OS — CID 70694972

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C20H19ClN2OS/c1-14(2)13-23-19(24)18(12-15-8-10-16(21)11-9-15)25-20(23)22-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b18-12-,22-20+
InChIKeyRFQPVRQJKRBRLR-CFDZAGTRSA-N
MW370.91 g/mol
LogP5.60
Rot. Bonds4

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

(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 70694972) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID70694972
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C20H19ClN2OS/c1-14(2)13-23-19(24)18(12-15-8-10-16(21)11-9-15)25-20(23)22-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b18-12-,22-20+
InChIKeyRFQPVRQJKRBRLR-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 70694972) is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is RFQPVRQJKRBRLR-CFDZAGTRSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-14(2)13-23-19(24)18(12-15-8-10-16(21)11-9-15)25-20(23)22-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b18-12-,22-20+.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-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-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 70694972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).