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

C8H7F3N4O2S — CID 55175332

IUPAC5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCC(F)(F)F)nc2sccn12
InChIInChI=1S/C8H7F3N4O2S/c9-8(10,11)1-2-12-5-6(15(16)17)14-3-4-18-7(14)13-5/h3-4,12H,1-2H2
InChIKeyQWWJUNBUUCOXLJ-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.67
Rot. Bonds4

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

5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 55175332) has the molecular formula C8H7F3N4O2S and a molecular weight of 280.23 g/mol. Its IUPAC name is 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID55175332
Molecular FormulaC8H7F3N4O2S
Molecular Weight280.23 g/mol
Exact Mass280.02
IUPAC Name5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCC(F)(F)F)nc2sccn12
InChIInChI=1S/C8H7F3N4O2S/c9-8(10,11)1-2-12-5-6(15(16)17)14-3-4-18-7(14)13-5/h3-4,12H,1-2H2
InChIKeyQWWJUNBUUCOXLJ-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.67
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'}

Analyze 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-5-nitroimidazo[2,1-b][1,3]thiazole
CID 301408
Nitroimidazo(2,1-b)thiazole
CID 129664719
N-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5-nitrothiazol-2-amine
CID 129841553
5-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 36250464
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 38773017
5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43471138
6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149762
5-nitro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79040115
N-(2,2-difluoroethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 79099277
N'-(2,2-difluoroethyl)-N'-ethyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 86819420
N-[2-(2,2-difluoroethoxy)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103081320
1,1-Difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-2-ol
CID 103731272

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 55175332) is 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCCC(F)(F)F)nc2sccn12.
What is the InChIKey of 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is QWWJUNBUUCOXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O2S/c9-8(10,11)1-2-12-5-6(15(16)17)14-3-4-18-7(14)13-5/h3-4,12H,1-2H2.
What are the key properties of 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 280.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 55175332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).