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

C10H11F3N4O2S — CID 115486627

IUPAC5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCCCC(F)(F)F)nc2sccn12
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)3-1-2-4-14-7-8(17(18)19)16-5-6-20-9(16)15-7/h5-6,14H,1-4H2
InChIKeyQWLLRZSBPCRSEN-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.45
Rot. Bonds6

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

5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 115486627) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID115486627
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC Name5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCCCC(F)(F)F)nc2sccn12
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)3-1-2-4-14-7-8(17(18)19)16-5-6-20-9(16)15-7/h5-6,14H,1-4H2
InChIKeyQWLLRZSBPCRSEN-UHFFFAOYSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

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
5-nitro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55175332
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
5-nitro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 104854461
2,2-Difluoro-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propan-1-ol
CID 104858423
5-nitro-N-[1-(trifluoromethyl)cyclopropyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 106214918

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 115486627) is 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCCCCC(F)(F)F)nc2sccn12.
What is the InChIKey of 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is QWLLRZSBPCRSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S/c11-10(12,13)3-1-2-4-14-7-8(17(18)19)16-5-6-20-9(16)15-7/h5-6,14H,1-4H2.
What are the key properties of 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 308.29 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 115486627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).