2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide

C13H11N3O2S2 — CID 8991129

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide
SMILESCc1coc(NC(=O)CSc2nc3ccccc3s2)n1
InChIInChI=1S/C13H11N3O2S2/c1-8-6-18-12(14-8)16-11(17)7-19-13-15-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyFEBNMKSREVVAPW-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.32
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide (PubChem CID 8991129) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide
PubChem CID8991129
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide
SMILESCc1coc(NC(=O)CSc2nc3ccccc3s2)n1
InChIInChI=1S/C13H11N3O2S2/c1-8-6-18-12(14-8)16-11(17)7-19-13-15-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyFEBNMKSREVVAPW-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide (CID 8991129) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide is Cc1coc(NC(=O)CSc2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
The InChIKey is FEBNMKSREVVAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-8-6-18-12(14-8)16-11(17)7-19-13-15-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H,14,16,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide is sourced from PubChem (CID 8991129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).