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

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Related Compounds

CID 118961046
CID 118961046
CID 118961104
CID 118961104
CID 118961106
CID 118961106
CID 118961156
CID 118961156
CID 118961169
CID 118961169
CID 118961231
CID 118961231
CID 118961232
CID 118961232
CID 118961240
CID 118961240
CID 130464431
CID 130464431
CID 130464436
CID 130464436
CID 145049253
CID 145049253
CID 145049296
CID 145049296

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).