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

C14H10F5N5OS — CID 118961231

IUPACN-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1)C(F)(F)F
InChIInChI=1S/C14H10F5N5OS/c15-13(16)7-3-24(4-8(7)13)12-20-1-6(2-21-12)10-22-9(5-26-10)23-11(25)14(17,18)19/h1-2,5,7-8H,3-4H2,(H,23,25)
InChIKeyHIXJAVWKKVDZAR-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.80
Rot. Bonds3

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

N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 118961231) has the molecular formula C14H10F5N5OS and a molecular weight of 391.33 g/mol. Its IUPAC name is N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide
PubChem CID118961231
Molecular FormulaC14H10F5N5OS
Molecular Weight391.33 g/mol
Exact Mass391.05
IUPAC NameN-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1)C(F)(F)F
InChIInChI=1S/C14H10F5N5OS/c15-13(16)7-3-24(4-8(7)13)12-20-1-6(2-21-12)10-22-9(5-26-10)23-11(25)14(17,18)19/h1-2,5,7-8H,3-4H2,(H,23,25)
InChIKeyHIXJAVWKKVDZAR-UHFFFAOYSA-N
XLogP2.80
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide (CID 118961231) is N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide is O=C(Nc1csc(-c2cnc(N3CC4C(C3)C4(F)F)nc2)n1)C(F)(F)F.
What is the InChIKey of N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is HIXJAVWKKVDZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N5OS/c15-13(16)7-3-24(4-8(7)13)12-20-1-6(2-21-12)10-22-9(5-26-10)23-11(25)14(17,18)19/h1-2,5,7-8H,3-4H2,(H,23,25).
What are the key properties of N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide?
N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 391.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118961231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).