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

C8H9F3N4O2S2 — CID 55044126

IUPAC6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H9F3N4O2S2/c1-12-5-6(15-2-3-18-7(15)14-5)19(16,17)13-4-8(9,10)11/h2-3,12-13H,4H2,1H3
InChIKeyLMYOJIUBOKUHGW-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.28
Rot. Bonds4

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

6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 55044126) has the molecular formula C8H9F3N4O2S2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID55044126
Molecular FormulaC8H9F3N4O2S2
Molecular Weight314.31 g/mol
Exact Mass314.01
IUPAC Name6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H9F3N4O2S2/c1-12-5-6(15-2-3-18-7(15)14-5)19(16,17)13-4-8(9,10)11/h2-3,12-13H,4H2,1H3
InChIKeyLMYOJIUBOKUHGW-UHFFFAOYSA-N
XLogP1.28
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

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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-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
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61046685

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 55044126) is 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is LMYOJIUBOKUHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S2/c1-12-5-6(15-2-3-18-7(15)14-5)19(16,17)13-4-8(9,10)11/h2-3,12-13H,4H2,1H3.
What are the key properties of 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 314.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 55044126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).