2-(1,3-benzothiazol-2-ylsulfanyl)acetamide

C9H8N2OS2 — CID 716336

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SMILESNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C9H8N2OS2/c10-8(12)5-13-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H2,10,12)
InChIKeyXZQXBISQHWDZBS-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.87
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)acetamide (PubChem CID 716336) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
PubChem CID716336
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SMILESNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C9H8N2OS2/c10-8(12)5-13-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H2,10,12)
InChIKeyXZQXBISQHWDZBS-UHFFFAOYSA-N
XLogP1.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide (CID 716336) is 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is NC(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The InChIKey is XZQXBISQHWDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c10-8(12)5-13-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H2,10,12).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)acetamide has a molecular weight of 224.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 716336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).