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

C9H8N2OS — CID 590972

IUPAC2-(1,2-benzothiazol-3-yl)acetamide
SMILESNC(=O)Cc1nsc2ccccc12
InChIInChI=1S/C9H8N2OS/c10-9(12)5-7-6-3-1-2-4-8(6)13-11-7/h1-4H,5H2,(H2,10,12)
InChIKeyWRVKQLQOVISMEV-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.32
Rot. Bonds2

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

2-(1,2-benzothiazol-3-yl)acetamide (PubChem CID 590972) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yl)acetamide
PubChem CID590972
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-(1,2-benzothiazol-3-yl)acetamide
SMILESNC(=O)Cc1nsc2ccccc12
InChIInChI=1S/C9H8N2OS/c10-9(12)5-7-6-3-1-2-4-8(6)13-11-7/h1-4H,5H2,(H2,10,12)
InChIKeyWRVKQLQOVISMEV-UHFFFAOYSA-N
XLogP1.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-3-yl)acetamide?
The IUPAC name of 2-(1,2-benzothiazol-3-yl)acetamide (CID 590972) is 2-(1,2-benzothiazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yl)acetamide?
The canonical SMILES for 2-(1,2-benzothiazol-3-yl)acetamide is NC(=O)Cc1nsc2ccccc12.
What is the InChIKey of 2-(1,2-benzothiazol-3-yl)acetamide?
The InChIKey is WRVKQLQOVISMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-9(12)5-7-6-3-1-2-4-8(6)13-11-7/h1-4H,5H2,(H2,10,12).
What are the key properties of 2-(1,2-benzothiazol-3-yl)acetamide?
2-(1,2-benzothiazol-3-yl)acetamide has a molecular weight of 192.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 590972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).