2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C18H15N3O3S3 — CID 11441465

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)NN1C(=O)CSC1c1ccccc1O
InChIInChI=1S/C18H15N3O3S3/c22-13-7-3-1-5-11(13)17-21(16(24)10-25-17)20-15(23)9-26-18-19-12-6-2-4-8-14(12)27-18/h1-8,17,22H,9-10H2,(H,20,23)
InChIKeyDNIARYKLLCJRHV-UHFFFAOYSA-N
MW417.54 g/mol
LogP3.40
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 11441465) has the molecular formula C18H15N3O3S3 and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID11441465
Molecular FormulaC18H15N3O3S3
Molecular Weight417.54 g/mol
Exact Mass417.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)NN1C(=O)CSC1c1ccccc1O
InChIInChI=1S/C18H15N3O3S3/c22-13-7-3-1-5-11(13)17-21(16(24)10-25-17)20-15(23)9-26-18-19-12-6-2-4-8-14(12)27-18/h1-8,17,22H,9-10H2,(H,20,23)
InChIKeyDNIARYKLLCJRHV-UHFFFAOYSA-N
XLogP3.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide 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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
CID 83202439
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 43388703
S-(1,3-benzothiazol-2-yl) 2-[[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]ethanethioate
CID 11340585
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956958
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5Z)-2-(2,4-dinitrophenyl)-5-[(2,4-dinitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11433831
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569421
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46203768
cis-(1R,3S)-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677438

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 11441465) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(CSc1nc2ccccc2s1)NN1C(=O)CSC1c1ccccc1O.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is DNIARYKLLCJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S3/c22-13-7-3-1-5-11(13)17-21(16(24)10-25-17)20-15(23)9-26-18-19-12-6-2-4-8-14(12)27-18/h1-8,17,22H,9-10H2,(H,20,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 417.54 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 11441465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).