1,3-benzothiazol-2-amine

C7H6N2S — CID 8706

IUPAC1,3-benzothiazol-2-amine
SMILESNc1nc2ccccc2s1
InChIInChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKeyUHGULLIUJBCTEF-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.88
Rot. Bonds

About 1,3-benzothiazol-2-amine

1,3-benzothiazol-2-amine (PubChem CID 8706) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name1,3-benzothiazol-2-amine
PubChem CID8706
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name1,3-benzothiazol-2-amine
SMILESNc1nc2ccccc2s1
InChIInChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKeyUHGULLIUJBCTEF-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-benzothiazol-2-amine 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 1,3-benzothiazol-2-amine?
The IUPAC name of 1,3-benzothiazol-2-amine (CID 8706) is 1,3-benzothiazol-2-amine.
What is the SMILES notation for 1,3-benzothiazol-2-amine?
The canonical SMILES for 1,3-benzothiazol-2-amine is Nc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-amine?
The InChIKey is UHGULLIUJBCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9).
What are the key properties of 1,3-benzothiazol-2-amine?
1,3-benzothiazol-2-amine has a molecular weight of 150.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-amine is sourced from PubChem (CID 8706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).