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

C8H9F3N4O2S2 — CID 62146161

IUPAC6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C8H9F3N4O2S2/c1-14(4-8(9,10)11)19(16,17)6-5(12)13-7-15(6)2-3-18-7/h2-3H,4,12H2,1H3
InChIKeyYZIYTYDLFJCOMX-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.16
Rot. Bonds3

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

6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146161) has the molecular formula C8H9F3N4O2S2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146161
Molecular FormulaC8H9F3N4O2S2
Molecular Weight314.31 g/mol
Exact Mass314.01
IUPAC Name6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C8H9F3N4O2S2/c1-14(4-8(9,10)11)19(16,17)6-5(12)13-7-15(6)2-3-18-7/h2-3H,4,12H2,1H3
InChIKeyYZIYTYDLFJCOMX-UHFFFAOYSA-N
XLogP1.16
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146161) is 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1c(N)nc2sccn12.
What is the InChIKey of 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is YZIYTYDLFJCOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S2/c1-14(4-8(9,10)11)19(16,17)6-5(12)13-7-15(6)2-3-18-7/h2-3H,4,12H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-methyl-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 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).