5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C7H5F3N4O2S — CID 43471138

IUPAC5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCC(F)(F)F)nc2sccn12
InChIInChI=1S/C7H5F3N4O2S/c8-7(9,10)3-11-4-5(14(15)16)13-1-2-17-6(13)12-4/h1-2,11H,3H2
InChIKeyRAQHUIXPHNKUHF-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.28
Rot. Bonds3

About 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43471138) has the molecular formula C7H5F3N4O2S and a molecular weight of 266.20 g/mol. Its IUPAC name is 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43471138
Molecular FormulaC7H5F3N4O2S
Molecular Weight266.20 g/mol
Exact Mass266.01
IUPAC Name5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCC(F)(F)F)nc2sccn12
InChIInChI=1S/C7H5F3N4O2S/c8-7(9,10)3-11-4-5(14(15)16)13-1-2-17-6(13)12-4/h1-2,11H,3H2
InChIKeyRAQHUIXPHNKUHF-UHFFFAOYSA-N
XLogP2.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.28
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 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 43471138) is 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCC(F)(F)F)nc2sccn12.
What is the InChIKey of 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is RAQHUIXPHNKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O2S/c8-7(9,10)3-11-4-5(14(15)16)13-1-2-17-6(13)12-4/h1-2,11H,3H2.
What are the key properties of 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 266.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43471138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).