2-ethyl-1,3-benzothiazol-6-amine

C9H10N2S — CID 638565

IUPAC2-ethyl-1,3-benzothiazol-6-amine
SMILESCCc1nc2ccc(N)cc2s1
InChIInChI=1S/C9H10N2S/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3
InChIKeyJBEXHLHFVASCMQ-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.44
Rot. Bonds1

About 2-ethyl-1,3-benzothiazol-6-amine

2-ethyl-1,3-benzothiazol-6-amine (PubChem CID 638565) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-ethyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-ethyl-1,3-benzothiazol-6-amine
PubChem CID638565
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-ethyl-1,3-benzothiazol-6-amine
SMILESCCc1nc2ccc(N)cc2s1
InChIInChI=1S/C9H10N2S/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3
InChIKeyJBEXHLHFVASCMQ-UHFFFAOYSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-1,3-benzothiazol-6-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 2-ethyl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-ethyl-1,3-benzothiazol-6-amine (CID 638565) is 2-ethyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-ethyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-ethyl-1,3-benzothiazol-6-amine is CCc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-ethyl-1,3-benzothiazol-6-amine?
The InChIKey is JBEXHLHFVASCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3.
What are the key properties of 2-ethyl-1,3-benzothiazol-6-amine?
2-ethyl-1,3-benzothiazol-6-amine has a molecular weight of 178.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 638565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).