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

C16H23F2N5S — CID 145049296

IUPAC2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane
SMILESCC.CC.Nc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1
InChIInChI=1S/C12H11F2N5S.2C2H6/c13-12(14)7-3-19(4-8(7)12)11-16-1-6(2-17-11)10-18-9(15)5-20-10;2*1-2/h1-2,5,7-8H,3-4,15H2;2*1-2H3
InChIKeyMJGKYMSRXRXFDF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.94
Rot. Bonds2

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

2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane (PubChem CID 145049296) has the molecular formula C16H23F2N5S and a molecular weight of 355.46 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;ethane.

Molecular Properties

Compound Name2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane
PubChem CID145049296
Molecular FormulaC16H23F2N5S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane
SMILESCC.CC.Nc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1
InChIInChI=1S/C12H11F2N5S.2C2H6/c13-12(14)7-3-19(4-8(7)12)11-16-1-6(2-17-11)10-18-9(15)5-20-10;2*1-2/h1-2,5,7-8H,3-4,15H2;2*1-2H3
InChIKeyMJGKYMSRXRXFDF-UHFFFAOYSA-N
XLogP3.94
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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;ethane?
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;ethane (CID 145049296) is 2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane.
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;ethane?
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;ethane is CC.CC.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;ethane?
The InChIKey is MJGKYMSRXRXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5S.2C2H6/c13-12(14)7-3-19(4-8(7)12)11-16-1-6(2-17-11)10-18-9(15)5-20-10;2*1-2/h1-2,5,7-8H,3-4,15H2;2*1-2H3.
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;ethane?
2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane has a molecular weight of 355.46 g/mol, XLogP of 3.94, 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;ethane is sourced from PubChem (CID 145049296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).