(5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C15H12N2O2S3 — CID 155805896

IUPAC(5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ncc(CO)s2)SC(=S)N1Cc1ccccc1
InChIInChI=1S/C15H12N2O2S3/c18-9-11-7-16-13(21-11)6-12-14(19)17(15(20)22-12)8-10-4-2-1-3-5-10/h1-7,18H,8-9H2/b12-6-
InChIKeyRDQCSXDCSFXDTF-SDQBBNPISA-N
MW348.47 g/mol
LogP3.04
Rot. Bonds4

About (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 155805896) has the molecular formula C15H12N2O2S3 and a molecular weight of 348.47 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID155805896
Molecular FormulaC15H12N2O2S3
Molecular Weight348.47 g/mol
Exact Mass348.01
IUPAC Name(5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ncc(CO)s2)SC(=S)N1Cc1ccccc1
InChIInChI=1S/C15H12N2O2S3/c18-9-11-7-16-13(21-11)6-12-14(19)17(15(20)22-12)8-10-4-2-1-3-5-10/h1-7,18H,8-9H2/b12-6-
InChIKeyRDQCSXDCSFXDTF-SDQBBNPISA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-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

Related Compounds

3-benzyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268875
(5Z)-3-benzyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2262136
3-benzyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1237848
3-benzyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4196119
(5Z)-5-benzylidene-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 90666746
(5E)-3-benzyl-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2271216
3-benzyl-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2914071
3-benzyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5160468
(5E)-3-benzyl-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5286971
(5Z)-3-benzyl-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6287572
2-[2-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 6532272
2-[2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 6209412

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 155805896) is (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ncc(CO)s2)SC(=S)N1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RDQCSXDCSFXDTF-SDQBBNPISA-N. The full InChI is InChI=1S/C15H12N2O2S3/c18-9-11-7-16-13(21-11)6-12-14(19)17(15(20)22-12)8-10-4-2-1-3-5-10/h1-7,18H,8-9H2/b12-6-.
What are the key properties of (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 348.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 155805896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).