6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C9H11F3N4O2S2 — CID 62146564

IUPAC6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C9H11F3N4O2S2/c1-2-15(5-9(10,11)12)20(17,18)7-6(13)14-8-16(7)3-4-19-8/h3-4H,2,5,13H2,1H3
InChIKeyITWKJJYPXLPJGB-UHFFFAOYSA-N
MW328.34 g/mol
LogP1.55
Rot. Bonds4

About 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146564) has the molecular formula C9H11F3N4O2S2 and a molecular weight of 328.34 g/mol. Its IUPAC name is 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146564
Molecular FormulaC9H11F3N4O2S2
Molecular Weight328.34 g/mol
Exact Mass328.03
IUPAC Name6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C9H11F3N4O2S2/c1-2-15(5-9(10,11)12)20(17,18)7-6(13)14-8-16(7)3-4-19-8/h3-4H,2,5,13H2,1H3
InChIKeyITWKJJYPXLPJGB-UHFFFAOYSA-N
XLogP1.55
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 22641637
Imidazo[2,1-b][1,3]thiazole-2-sulfonamide;hydrobromide
CID 45264027
6-Fluoroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 14422485
Imidazo[2,1-b][1,3]thiazole-2-sulfonamide
CID 44272572
6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 54922409
6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55044126
6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55044172
6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55173593
6-hydrazinyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814823
6-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60890457
6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60892341
6-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61045777

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146564) is 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(N)nc2sccn12.
What is the InChIKey of 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is ITWKJJYPXLPJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2S2/c1-2-15(5-9(10,11)12)20(17,18)7-6(13)14-8-16(7)3-4-19-8/h3-4H,2,5,13H2,1H3.
What are the key properties of 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 328.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).