2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine

C12H11F2N5S — CID 118961017

IUPAC2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1
InChIInChI=1S/C12H11F2N5S/c13-12(14)7-3-19(4-8(7)12)11-16-1-6(2-17-11)10-18-9(15)5-20-10/h1-2,5,7-8H,3-4,15H2
InChIKeyNAABYNDHHJYKMG-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.88
Rot. Bonds2

About 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine

2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine (PubChem CID 118961017) has the molecular formula C12H11F2N5S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine
PubChem CID118961017
Molecular FormulaC12H11F2N5S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1
InChIInChI=1S/C12H11F2N5S/c13-12(14)7-3-19(4-8(7)12)11-16-1-6(2-17-11)10-18-9(15)5-20-10/h1-2,5,7-8H,3-4,15H2
InChIKeyNAABYNDHHJYKMG-UHFFFAOYSA-N
XLogP1.88
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-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 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine (CID 118961017) is 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine is Nc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1.
What is the InChIKey of 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
The InChIKey is NAABYNDHHJYKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5S/c13-12(14)7-3-19(4-8(7)12)11-16-1-6(2-17-11)10-18-9(15)5-20-10/h1-2,5,7-8H,3-4,15H2.
What are the key properties of 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine has a molecular weight of 295.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 118961017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).