2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C9H9F3N4O3S — CID 107484399

IUPAC2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESO=[N+]([O-])c1c(N(CCO)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C9H9F3N4O3S/c10-9(11,12)5-14(1-3-17)6-7(16(18)19)15-2-4-20-8(15)13-6/h2,4,17H,1,3,5H2
InChIKeyJWPBEZTXSHBTMF-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.66
Rot. Bonds5

About 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484399) has the molecular formula C9H9F3N4O3S and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484399
Molecular FormulaC9H9F3N4O3S
Molecular Weight310.26 g/mol
Exact Mass310.03
IUPAC Name2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESO=[N+]([O-])c1c(N(CCO)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C9H9F3N4O3S/c10-9(11,12)5-14(1-3-17)6-7(16(18)19)15-2-4-20-8(15)13-6/h2,4,17H,1,3,5H2
InChIKeyJWPBEZTXSHBTMF-UHFFFAOYSA-N
XLogP1.66
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

5-Nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole
CID 16779918
5-Nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole
CID 16780480
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
2-[(5-Nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261974
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 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484399) is 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol is O=[N+]([O-])c1c(N(CCO)CC(F)(F)F)nc2sccn12.
What is the InChIKey of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JWPBEZTXSHBTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3S/c10-9(11,12)5-14(1-3-17)6-7(16(18)19)15-2-4-20-8(15)13-6/h2,4,17H,1,3,5H2.
What are the key properties of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 310.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).