6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C9H9ClF3N3O2S2 — CID 79040422

IUPAC6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O2S2/c10-6-7(16-4-5-19-8(16)15-6)20(17,18)14-3-1-2-9(11,12)13/h4-5,14H,1-3H2
InChIKeyDTQGJTUSNFDEHT-UHFFFAOYSA-N
MW347.77 g/mol
LogP2.67
Rot. Bonds5

About 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 79040422) has the molecular formula C9H9ClF3N3O2S2 and a molecular weight of 347.77 g/mol. Its IUPAC name is 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID79040422
Molecular FormulaC9H9ClF3N3O2S2
Molecular Weight347.77 g/mol
Exact Mass346.98
IUPAC Name6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O2S2/c10-6-7(16-4-5-19-8(16)15-6)20(17,18)14-3-1-2-9(11,12)13/h4-5,14H,1-3H2
InChIKeyDTQGJTUSNFDEHT-UHFFFAOYSA-N
XLogP2.67
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593797
6-Chloroimidazo(2,1-b)(1,3)thiazole-5-sulfonyl chloride
CID 2799717
Imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 22641637
2-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]-2,8-diazaspiro[4.5]decane hydrochloride
CID 56718386
6-Fluoroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 14422485
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-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 79040422) is 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCCCC(F)(F)F)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DTQGJTUSNFDEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O2S2/c10-6-7(16-4-5-19-8(16)15-6)20(17,18)14-3-1-2-9(11,12)13/h4-5,14H,1-3H2.
What are the key properties of 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 347.77 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 79040422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).