2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C15H11N3O2S3 — CID 6512086

IUPAC2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSC1=NC(=O)/C(=C\c2ccccc2)S1)Nc1nccs1
InChIInChI=1S/C15H11N3O2S3/c19-12(17-14-16-6-7-21-14)9-22-15-18-13(20)11(23-15)8-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,19)/b11-8+
InChIKeyGXLHZRWEMWTDKG-DHZHZOJOSA-N
MW361.47 g/mol
LogP3.49
Rot. Bonds4

About 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6512086) has the molecular formula C15H11N3O2S3 and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6512086
Molecular FormulaC15H11N3O2S3
Molecular Weight361.47 g/mol
Exact Mass361.00
IUPAC Name2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSC1=NC(=O)/C(=C\c2ccccc2)S1)Nc1nccs1
InChIInChI=1S/C15H11N3O2S3/c19-12(17-14-16-6-7-21-14)9-22-15-18-13(20)11(23-15)8-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,19)/b11-8+
InChIKeyGXLHZRWEMWTDKG-DHZHZOJOSA-N
XLogP3.49
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 6512086) is 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSC1=NC(=O)/C(=C\c2ccccc2)S1)Nc1nccs1.
What is the InChIKey of 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GXLHZRWEMWTDKG-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H11N3O2S3/c19-12(17-14-16-6-7-21-14)9-22-15-18-13(20)11(23-15)8-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,19)/b11-8+.
What are the key properties of 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6512086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).