1,2-benzothiazole-3-carboxamide

C8H6N2OS — CID 15639470

IUPAC1,2-benzothiazole-3-carboxamide
SMILESNC(=O)c1nsc2ccccc12
InChIInChI=1S/C8H6N2OS/c9-8(11)7-5-3-1-2-4-6(5)12-10-7/h1-4H,(H2,9,11)
InChIKeyBAKAGHXBJJLTDB-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.40
Rot. Bonds1

About 1,2-benzothiazole-3-carboxamide

1,2-benzothiazole-3-carboxamide (PubChem CID 15639470) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name1,2-benzothiazole-3-carboxamide
PubChem CID15639470
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name1,2-benzothiazole-3-carboxamide
SMILESNC(=O)c1nsc2ccccc12
InChIInChI=1S/C8H6N2OS/c9-8(11)7-5-3-1-2-4-6(5)12-10-7/h1-4H,(H2,9,11)
InChIKeyBAKAGHXBJJLTDB-UHFFFAOYSA-N
XLogP1.40
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-benzothiazole-3-carboxamide?
The IUPAC name of 1,2-benzothiazole-3-carboxamide (CID 15639470) is 1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 1,2-benzothiazole-3-carboxamide is NC(=O)c1nsc2ccccc12.
What is the InChIKey of 1,2-benzothiazole-3-carboxamide?
The InChIKey is BAKAGHXBJJLTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c9-8(11)7-5-3-1-2-4-6(5)12-10-7/h1-4H,(H2,9,11).
What are the key properties of 1,2-benzothiazole-3-carboxamide?
1,2-benzothiazole-3-carboxamide has a molecular weight of 178.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 15639470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).