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

C7H7F3N4O2S2 — CID 55044172

IUPAC6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N4O2S2/c8-7(9,10)3-12-18(15,16)5-4(11)13-6-14(5)1-2-17-6/h1-2,12H,3,11H2
InChIKeyTVMKHFHGBKYRIJ-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.82
Rot. Bonds3

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

6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 55044172) has the molecular formula C7H7F3N4O2S2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID55044172
Molecular FormulaC7H7F3N4O2S2
Molecular Weight300.29 g/mol
Exact Mass300.00
IUPAC Name6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N4O2S2/c8-7(9,10)3-12-18(15,16)5-4(11)13-6-14(5)1-2-17-6/h1-2,12H,3,11H2
InChIKeyTVMKHFHGBKYRIJ-UHFFFAOYSA-N
XLogP0.82
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
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-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 14422483
5-nitro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43471138
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-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 55044172) is 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is TVMKHFHGBKYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2S2/c8-7(9,10)3-12-18(15,16)5-4(11)13-6-14(5)1-2-17-6/h1-2,12H,3,11H2.
What are the key properties of 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 300.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 55044172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).