1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine

C8H10N2OS — CID 155858354

IUPAC1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine
SMILESCS1(=O)=NCc2cc(N)ccc21
InChIInChI=1S/C8H10N2OS/c1-12(11)8-3-2-7(9)4-6(8)5-10-12/h2-4H,5,9H2,1H3
InChIKeyHCYPOFLJQJFCQA-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.24
Rot. Bonds

About 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine

1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine (PubChem CID 155858354) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine.

Molecular Properties

Compound Name1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine
PubChem CID155858354
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine
SMILESCS1(=O)=NCc2cc(N)ccc21
InChIInChI=1S/C8H10N2OS/c1-12(11)8-3-2-7(9)4-6(8)5-10-12/h2-4H,5,9H2,1H3
InChIKeyHCYPOFLJQJFCQA-UHFFFAOYSA-N
XLogP1.24
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-methyl-1-oxo-3H-1,2-benzothiazol-5-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-methyl-1-oxo-3H-1,2-benzothiazol-5-amine?
The IUPAC name of 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine (CID 155858354) is 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine.
What is the SMILES notation for 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine?
The canonical SMILES for 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine is CS1(=O)=NCc2cc(N)ccc21.
What is the InChIKey of 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine?
The InChIKey is HCYPOFLJQJFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-12(11)8-3-2-7(9)4-6(8)5-10-12/h2-4H,5,9H2,1H3.
What are the key properties of 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine?
1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine has a molecular weight of 182.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine is sourced from PubChem (CID 155858354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).