N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C9H10F2N4O3S — CID 103081320

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCOCC(F)F)nc2sccn12
InChIInChI=1S/C9H10F2N4O3S/c10-6(11)5-18-3-1-12-7-8(15(16)17)14-2-4-19-9(14)13-7/h2,4,6,12H,1,3,5H2
InChIKeyYYAHQRQENPWXND-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 103081320) has the molecular formula C9H10F2N4O3S and a molecular weight of 292.27 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID103081320
Molecular FormulaC9H10F2N4O3S
Molecular Weight292.27 g/mol
Exact Mass292.04
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCOCC(F)F)nc2sccn12
InChIInChI=1S/C9H10F2N4O3S/c10-6(11)5-18-3-1-12-7-8(15(16)17)14-2-4-19-9(14)13-7/h2,4,6,12H,1,3,5H2
InChIKeyYYAHQRQENPWXND-UHFFFAOYSA-N
XLogP2.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 103081320) is N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCCOCC(F)F)nc2sccn12.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is YYAHQRQENPWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O3S/c10-6(11)5-18-3-1-12-7-8(15(16)17)14-2-4-19-9(14)13-7/h2,4,6,12H,1,3,5H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 292.27 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 103081320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).