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

C9H9ClF3N3O3S2 — CID 61046670

IUPAC6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9ClF3N3O3S2/c10-6-7(16-2-4-20-8(16)14-6)21(18,19)15(1-3-17)5-9(11,12)13/h2,4,17H,1,3,5H2
InChIKeyCQIDGIXLNJERIQ-UHFFFAOYSA-N
MW363.77 g/mol
LogP1.59
Rot. Bonds5

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

6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 61046670) has the molecular formula C9H9ClF3N3O3S2 and a molecular weight of 363.77 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID61046670
Molecular FormulaC9H9ClF3N3O3S2
Molecular Weight363.77 g/mol
Exact Mass362.97
IUPAC Name6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9ClF3N3O3S2/c10-6-7(16-2-4-20-8(16)14-6)21(18,19)15(1-3-17)5-9(11,12)13/h2,4,17H,1,3,5H2
InChIKeyCQIDGIXLNJERIQ-UHFFFAOYSA-N
XLogP1.59
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 61046670) is 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(c1c(Cl)nc2sccn12)N(CCO)CC(F)(F)F.
What is the InChIKey of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is CQIDGIXLNJERIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O3S2/c10-6-7(16-2-4-20-8(16)14-6)21(18,19)15(1-3-17)5-9(11,12)13/h2,4,17H,1,3,5H2.
What are the key properties of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 363.77 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 61046670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).