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

C7H6F2N4O2S — CID 79099277

IUPACN-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCC(F)F)nc2sccn12
InChIInChI=1S/C7H6F2N4O2S/c8-4(9)3-10-5-6(13(14)15)12-1-2-16-7(12)11-5/h1-2,4,10H,3H2
InChIKeyIYHLLSWYKZLERI-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.98
Rot. Bonds4

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

N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 79099277) has the molecular formula C7H6F2N4O2S and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID79099277
Molecular FormulaC7H6F2N4O2S
Molecular Weight248.21 g/mol
Exact Mass248.02
IUPAC NameN-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCC(F)F)nc2sccn12
InChIInChI=1S/C7H6F2N4O2S/c8-4(9)3-10-5-6(13(14)15)12-1-2-16-7(12)11-5/h1-2,4,10H,3H2
InChIKeyIYHLLSWYKZLERI-UHFFFAOYSA-N
XLogP1.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 79099277) is N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCC(F)F)nc2sccn12.
What is the InChIKey of N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is IYHLLSWYKZLERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4O2S/c8-4(9)3-10-5-6(13(14)15)12-1-2-16-7(12)11-5/h1-2,4,10H,3H2.
What are the key properties of N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 248.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 79099277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).