2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C17H13N3O3S2 — CID 1035368

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4ccccc4o3)sc2c1
InChIInChI=1S/C17H13N3O3S2/c1-22-10-6-7-12-14(8-10)25-16(18-12)20-15(21)9-24-17-19-11-4-2-3-5-13(11)23-17/h2-8H,9H2,1H3,(H,18,20,21)
InChIKeyFFGHSFKXZWSLNL-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.18
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1035368) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID1035368
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4ccccc4o3)sc2c1
InChIInChI=1S/C17H13N3O3S2/c1-22-10-6-7-12-14(8-10)25-16(18-12)20-15(21)9-24-17-19-11-4-2-3-5-13(11)23-17/h2-8H,9H2,1H3,(H,18,20,21)
InChIKeyFFGHSFKXZWSLNL-UHFFFAOYSA-N
XLogP4.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-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-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 1035368) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CSc3nc4ccccc4o3)sc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FFGHSFKXZWSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c1-22-10-6-7-12-14(8-10)25-16(18-12)20-15(21)9-24-17-19-11-4-2-3-5-13(11)23-17/h2-8H,9H2,1H3,(H,18,20,21).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1035368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).