N-ethyl-4-fluoro-1,3-benzothiazol-5-amine

C9H9FN2S — CID 154952978

IUPACN-ethyl-4-fluoro-1,3-benzothiazol-5-amine
SMILESCCNc1ccc2scnc2c1F
InChIInChI=1S/C9H9FN2S/c1-2-11-6-3-4-7-9(8(6)10)12-5-13-7/h3-5,11H,2H2,1H3
InChIKeyPRPQVZGZHDRTPB-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.87
Rot. Bonds2

About N-ethyl-4-fluoro-1,3-benzothiazol-5-amine

N-ethyl-4-fluoro-1,3-benzothiazol-5-amine (PubChem CID 154952978) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is N-ethyl-4-fluoro-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-fluoro-1,3-benzothiazol-5-amine
PubChem CID154952978
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC NameN-ethyl-4-fluoro-1,3-benzothiazol-5-amine
SMILESCCNc1ccc2scnc2c1F
InChIInChI=1S/C9H9FN2S/c1-2-11-6-3-4-7-9(8(6)10)12-5-13-7/h3-5,11H,2H2,1H3
InChIKeyPRPQVZGZHDRTPB-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-fluoro-1,3-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 N-ethyl-4-fluoro-1,3-benzothiazol-5-amine?
The IUPAC name of N-ethyl-4-fluoro-1,3-benzothiazol-5-amine (CID 154952978) is N-ethyl-4-fluoro-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-ethyl-4-fluoro-1,3-benzothiazol-5-amine?
The canonical SMILES for N-ethyl-4-fluoro-1,3-benzothiazol-5-amine is CCNc1ccc2scnc2c1F.
What is the InChIKey of N-ethyl-4-fluoro-1,3-benzothiazol-5-amine?
The InChIKey is PRPQVZGZHDRTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-2-11-6-3-4-7-9(8(6)10)12-5-13-7/h3-5,11H,2H2,1H3.
What are the key properties of N-ethyl-4-fluoro-1,3-benzothiazol-5-amine?
N-ethyl-4-fluoro-1,3-benzothiazol-5-amine has a molecular weight of 196.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-1,3-benzothiazol-5-amine is sourced from PubChem (CID 154952978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).