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

C10H13F3N4O2S2 — CID 62148135

IUPACN-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C10H13F3N4O2S2/c1-3-16(6-10(11,12)13)21(18,19)8-7(14-2)15-9-17(8)4-5-20-9/h4-5,14H,3,6H2,1-2H3
InChIKeyFDKHJGKOTZKCCP-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.01
Rot. Bonds5

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

N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62148135) has the molecular formula C10H13F3N4O2S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62148135
Molecular FormulaC10H13F3N4O2S2
Molecular Weight342.37 g/mol
Exact Mass342.04
IUPAC NameN-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C10H13F3N4O2S2/c1-3-16(6-10(11,12)13)21(18,19)8-7(14-2)15-9-17(8)4-5-20-9/h4-5,14H,3,6H2,1-2H3
InChIKeyFDKHJGKOTZKCCP-UHFFFAOYSA-N
XLogP2.01
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62148135) is N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(NC)nc2sccn12.
What is the InChIKey of N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FDKHJGKOTZKCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S2/c1-3-16(6-10(11,12)13)21(18,19)8-7(14-2)15-9-17(8)4-5-20-9/h4-5,14H,3,6H2,1-2H3.
What are the key properties of N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 342.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62148135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).