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

C9H9ClF3N3O3S2 — CID 63239565

IUPAC6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O3S2/c10-6-7(16-2-4-20-8(16)15-6)21(17,18)14-1-3-19-5-9(11,12)13/h2,4,14H,1,3,5H2
InChIKeyHHQONVIFDCDFKJ-UHFFFAOYSA-N
MW363.77 g/mol
LogP1.91
Rot. Bonds6

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

6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63239565) has the molecular formula C9H9ClF3N3O3S2 and a molecular weight of 363.77 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63239565
Molecular FormulaC9H9ClF3N3O3S2
Molecular Weight363.77 g/mol
Exact Mass362.97
IUPAC Name6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O3S2/c10-6-7(16-2-4-20-8(16)15-6)21(17,18)14-1-3-19-5-9(11,12)13/h2,4,14H,1,3,5H2
InChIKeyHHQONVIFDCDFKJ-UHFFFAOYSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63239565) is 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCCOCC(F)(F)F)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HHQONVIFDCDFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O3S2/c10-6-7(16-2-4-20-8(16)15-6)21(17,18)14-1-3-19-5-9(11,12)13/h2,4,14H,1,3,5H2.
What are the key properties of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 363.77 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63239565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).