(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C17H15NOS3 — CID 5344231

IUPAC(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccsc1/C=C1\SC(=S)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C17H15NOS3/c1-11-8-9-21-14(11)10-15-16(19)18(17(20)22-15)12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10-
InChIKeyRTNUVSOQTCGRTB-GDNBJRDFSA-N
MW345.51 g/mol
LogP5.02
Rot. Bonds3

About (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 5344231) has the molecular formula C17H15NOS3 and a molecular weight of 345.51 g/mol. Its IUPAC name is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID5344231
Molecular FormulaC17H15NOS3
Molecular Weight345.51 g/mol
Exact Mass345.03
IUPAC Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccsc1/C=C1\SC(=S)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C17H15NOS3/c1-11-8-9-21-14(11)10-15-16(19)18(17(20)22-15)12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10-
InChIKeyRTNUVSOQTCGRTB-GDNBJRDFSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 5344231) is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccsc1/C=C1\SC(=S)N(C(C)c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RTNUVSOQTCGRTB-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H15NOS3/c1-11-8-9-21-14(11)10-15-16(19)18(17(20)22-15)12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10-.
What are the key properties of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 345.51 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 5344231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).