(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C17H17ClN2O3S2 — CID 1346182

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCOCC1
InChIInChI=1S/C17H17ClN2O3S2/c18-13-4-2-1-3-12(13)11-14-16(22)20(17(24)25-14)6-5-15(21)19-7-9-23-10-8-19/h1-4,11H,5-10H2/b14-11-
InChIKeyKURLQJFFNXCMSE-KAMYIIQDSA-N
MW396.92 g/mol
LogP2.79
Rot. Bonds4

About (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1346182) has the molecular formula C17H17ClN2O3S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1346182
Molecular FormulaC17H17ClN2O3S2
Molecular Weight396.92 g/mol
Exact Mass396.04
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCOCC1
InChIInChI=1S/C17H17ClN2O3S2/c18-13-4-2-1-3-12(13)11-14-16(22)20(17(24)25-14)6-5-15(21)19-7-9-23-10-8-19/h1-4,11H,5-10H2/b14-11-
InChIKeyKURLQJFFNXCMSE-KAMYIIQDSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1346182) is (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCOCC1.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KURLQJFFNXCMSE-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H17ClN2O3S2/c18-13-4-2-1-3-12(13)11-14-16(22)20(17(24)25-14)6-5-15(21)19-7-9-23-10-8-19/h1-4,11H,5-10H2/b14-11-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 396.92 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1346182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).