2-amino-1,3-benzothiazole-6-carboxamide

C8H7N3OS — CID 606347

IUPAC2-amino-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,9,12)(H2,10,11)
InChIKeyHPRLVAQRFQEQPF-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.98
Rot. Bonds1

About 2-amino-1,3-benzothiazole-6-carboxamide

2-amino-1,3-benzothiazole-6-carboxamide (PubChem CID 606347) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-amino-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-1,3-benzothiazole-6-carboxamide
PubChem CID606347
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-amino-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,9,12)(H2,10,11)
InChIKeyHPRLVAQRFQEQPF-UHFFFAOYSA-N
XLogP0.98
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-1,3-benzothiazole-6-carboxamide (CID 606347) is 2-amino-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-1,3-benzothiazole-6-carboxamide is NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-1,3-benzothiazole-6-carboxamide?
The InChIKey is HPRLVAQRFQEQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,9,12)(H2,10,11).
What are the key properties of 2-amino-1,3-benzothiazole-6-carboxamide?
2-amino-1,3-benzothiazole-6-carboxamide has a molecular weight of 193.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 606347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).