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

C9H11F3N4O2S2 — CID 62147925

IUPACN-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H11F3N4O2S2/c1-13-6-7(16-3-4-19-8(16)14-6)20(17,18)15(2)5-9(10,11)12/h3-4,13H,5H2,1-2H3
InChIKeyMZEAPXBEZSCLEW-UHFFFAOYSA-N
MW328.34 g/mol
LogP1.62
Rot. Bonds4

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

N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62147925) has the molecular formula C9H11F3N4O2S2 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62147925
Molecular FormulaC9H11F3N4O2S2
Molecular Weight328.34 g/mol
Exact Mass328.03
IUPAC NameN-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H11F3N4O2S2/c1-13-6-7(16-3-4-19-8(16)14-6)20(17,18)15(2)5-9(10,11)12/h3-4,13H,5H2,1-2H3
InChIKeyMZEAPXBEZSCLEW-UHFFFAOYSA-N
XLogP1.62
TPSA66.71 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 ≤ 51.62
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 N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62147925) is N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MZEAPXBEZSCLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2S2/c1-13-6-7(16-3-4-19-8(16)14-6)20(17,18)15(2)5-9(10,11)12/h3-4,13H,5H2,1-2H3.
What are the key properties of N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-methyl-6-(methylamino)-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 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62147925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).