6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

C15H9FN4S2 — CID 7086352

IUPAC6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3nc(-c4ccccn4)cs3)sc2c1
InChIInChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20)
InChIKeyCKLUPEBKNDQOFT-UHFFFAOYSA-N
MW328.40 g/mol
LogP4.70
Rot. Bonds3

About 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7086352) has the molecular formula C15H9FN4S2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7086352
Molecular FormulaC15H9FN4S2
Molecular Weight328.40 g/mol
Exact Mass328.03
IUPAC Name6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3nc(-c4ccccn4)cs3)sc2c1
InChIInChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20)
InChIKeyCKLUPEBKNDQOFT-UHFFFAOYSA-N
XLogP4.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7086352) is 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3nc(-c4ccccn4)cs3)sc2c1.
What is the InChIKey of 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is CKLUPEBKNDQOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4S2/c16-9-4-5-11-13(7-9)22-15(18-11)20-14-19-12(8-21-14)10-3-1-2-6-17-10/h1-8H,(H,18,19,20).
What are the key properties of 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 328.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7086352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).