3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine

C11H7FN4S — CID 79148122

IUPAC3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C11H7FN4S/c12-6-1-2-7-8(5-6)17-11(16-7)9-10(13)15-4-3-14-9/h1-5H,(H2,13,15)
InChIKeyNVEBMDSFLJIJPC-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.47
Rot. Bonds1

About 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine

3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine (PubChem CID 79148122) has the molecular formula C11H7FN4S and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine
PubChem CID79148122
Molecular FormulaC11H7FN4S
Molecular Weight246.27 g/mol
Exact Mass246.04
IUPAC Name3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2ccc(F)cc2s1
InChIInChI=1S/C11H7FN4S/c12-6-1-2-7-8(5-6)17-11(16-7)9-10(13)15-4-3-14-9/h1-5H,(H2,13,15)
InChIKeyNVEBMDSFLJIJPC-UHFFFAOYSA-N
XLogP2.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-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

Related Compounds

6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
4-bromo-2-(6-fluoro-1,3-benzothiazol-2-yl)aniline
CID 79148767
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-bromo-6-(6-fluoro-1,3-benzothiazol-2-yl)aniline
CID 79148412
2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine
CID 66202280
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
CID 102236316
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 50849830
4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 80556024
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106695
4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 50850273

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine (CID 79148122) is 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine is Nc1nccnc1-c1nc2ccc(F)cc2s1.
What is the InChIKey of 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine?
The InChIKey is NVEBMDSFLJIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4S/c12-6-1-2-7-8(5-6)17-11(16-7)9-10(13)15-4-3-14-9/h1-5H,(H2,13,15).
What are the key properties of 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine?
3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 79148122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).