7-fluoro-N-methyl-1,2-benzothiazol-6-amine

C8H7FN2S — CID 167245097

IUPAC7-fluoro-N-methyl-1,2-benzothiazol-6-amine
SMILESCNc1ccc2cnsc2c1F
InChIInChI=1S/C8H7FN2S/c1-10-6-3-2-5-4-11-12-8(5)7(6)9/h2-4,10H,1H3
InChIKeyQXWXLZGDBJXAPK-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.48
Rot. Bonds1

About 7-fluoro-N-methyl-1,2-benzothiazol-6-amine

7-fluoro-N-methyl-1,2-benzothiazol-6-amine (PubChem CID 167245097) has the molecular formula C8H7FN2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 7-fluoro-N-methyl-1,2-benzothiazol-6-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-1,2-benzothiazol-6-amine
PubChem CID167245097
Molecular FormulaC8H7FN2S
Molecular Weight182.22 g/mol
Exact Mass182.03
IUPAC Name7-fluoro-N-methyl-1,2-benzothiazol-6-amine
SMILESCNc1ccc2cnsc2c1F
InChIInChI=1S/C8H7FN2S/c1-10-6-3-2-5-4-11-12-8(5)7(6)9/h2-4,10H,1H3
InChIKeyQXWXLZGDBJXAPK-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-N-methyl-1,2-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

Related Compounds

N,N-Dimethyl-1,2-benzisothiazol-6-amine
CID 12614603
1-(1,2-Benzothiazol-6-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70645052
tert-butyl N-(7-fluoro-1,2-benzothiazol-6-yl)carbamate
CID 166539675
7-Fluorobenzo[d]isothiazol-6-amine
CID 166540101
4-(1,2-benzothiazol-3-yl)-N-methylaniline
CID 12555106
N,N-diethyl-1,2-benzothiazol-6-amine
CID 12614604
Benzenamine, 4-(1,2-benzisothiazol-6-ylazo)-N,N-dimethyl-
CID 187285
N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine
CID 154866245
4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline
CID 167952080
7-Fluoro-1,2-benzothiazol-5-amine
CID 177793108
5-Fluoro-1,2-benzothiazol-6-amine
CID 177793109
Benzo[d]isothiazol-6-amine
CID 18373420

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-1,2-benzothiazol-6-amine?
The IUPAC name of 7-fluoro-N-methyl-1,2-benzothiazol-6-amine (CID 167245097) is 7-fluoro-N-methyl-1,2-benzothiazol-6-amine.
What is the SMILES notation for 7-fluoro-N-methyl-1,2-benzothiazol-6-amine?
The canonical SMILES for 7-fluoro-N-methyl-1,2-benzothiazol-6-amine is CNc1ccc2cnsc2c1F.
What is the InChIKey of 7-fluoro-N-methyl-1,2-benzothiazol-6-amine?
The InChIKey is QXWXLZGDBJXAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S/c1-10-6-3-2-5-4-11-12-8(5)7(6)9/h2-4,10H,1H3.
What are the key properties of 7-fluoro-N-methyl-1,2-benzothiazol-6-amine?
7-fluoro-N-methyl-1,2-benzothiazol-6-amine has a molecular weight of 182.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-1,2-benzothiazol-6-amine is sourced from PubChem (CID 167245097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).