2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine

C12H6ClF2N3S — CID 66801247

IUPAC2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESNc1ncc(F)c2nc(-c3c(F)cccc3Cl)sc12
InChIInChI=1S/C12H6ClF2N3S/c13-5-2-1-3-6(14)8(5)12-18-9-7(15)4-17-11(16)10(9)19-12/h1-4H,(H2,16,17)
InChIKeyVNVRPGCWARMCOO-UHFFFAOYSA-N
MW297.72 g/mol
LogP3.87
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine

2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 66801247) has the molecular formula C12H6ClF2N3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID66801247
Molecular FormulaC12H6ClF2N3S
Molecular Weight297.72 g/mol
Exact Mass296.99
IUPAC Name2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESNc1ncc(F)c2nc(-c3c(F)cccc3Cl)sc12
InChIInChI=1S/C12H6ClF2N3S/c13-5-2-1-3-6(14)8(5)12-18-9-7(15)4-17-11(16)10(9)19-12/h1-4H,(H2,16,17)
InChIKeyVNVRPGCWARMCOO-UHFFFAOYSA-N
XLogP3.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 66801247) is 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine is Nc1ncc(F)c2nc(-c3c(F)cccc3Cl)sc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is VNVRPGCWARMCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3S/c13-5-2-1-3-6(14)8(5)12-18-9-7(15)4-17-11(16)10(9)19-12/h1-4H,(H2,16,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 297.72 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 66801247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).