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

C7H5ClF3N3O2S2 — CID 54922409

IUPAC6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C7H5ClF3N3O2S2/c8-4-5(14-1-2-17-6(14)13-4)18(15,16)12-3-7(9,10)11/h1-2,12H,3H2
InChIKeyMWJJUGZYLIFHBZ-UHFFFAOYSA-N
MW319.72 g/mol
LogP1.89
Rot. Bonds3

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

6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 54922409) has the molecular formula C7H5ClF3N3O2S2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID54922409
Molecular FormulaC7H5ClF3N3O2S2
Molecular Weight319.72 g/mol
Exact Mass318.95
IUPAC Name6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C7H5ClF3N3O2S2/c8-4-5(14-1-2-17-6(14)13-4)18(15,16)12-3-7(9,10)11/h1-2,12H,3H2
InChIKeyMWJJUGZYLIFHBZ-UHFFFAOYSA-N
XLogP1.89
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloroimidazo(2,1-b)(1,3)thiazole-5-sulfonyl chloride
CID 2799717
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-(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 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 54922409) is 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCC(F)(F)F)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MWJJUGZYLIFHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O2S2/c8-4-5(14-1-2-17-6(14)13-4)18(15,16)12-3-7(9,10)11/h1-2,12H,3H2.
What are the key properties of 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 319.72 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 54922409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).