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

C8H7ClF3N3O2S2 — CID 55173593

IUPAC6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C8H7ClF3N3O2S2/c9-5-6(15-3-4-18-7(15)14-5)19(16,17)13-2-1-8(10,11)12/h3-4,13H,1-2H2
InChIKeyJNBOWASTXFIYKK-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.28
Rot. Bonds4

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

6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 55173593) has the molecular formula C8H7ClF3N3O2S2 and a molecular weight of 333.74 g/mol. Its IUPAC name is 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID55173593
Molecular FormulaC8H7ClF3N3O2S2
Molecular Weight333.74 g/mol
Exact Mass332.96
IUPAC Name6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C8H7ClF3N3O2S2/c9-5-6(15-3-4-18-7(15)14-5)19(16,17)13-2-1-8(10,11)12/h3-4,13H,1-2H2
InChIKeyJNBOWASTXFIYKK-UHFFFAOYSA-N
XLogP2.28
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.28
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
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-5-{[2-(trifluoromethyl)morpholin-4-yl]sulfonyl}imidazo[2,1-b][1,3]thiazole
CID 56865454
6-hydrazinyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814823
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
6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61046670

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 55173593) is 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCCC(F)(F)F)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JNBOWASTXFIYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O2S2/c9-5-6(15-3-4-18-7(15)14-5)19(16,17)13-2-1-8(10,11)12/h3-4,13H,1-2H2.
What are the key properties of 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 333.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 55173593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).