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

C9H9ClF3N3O2S2 — CID 104854794

IUPAC6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O2S2/c1-5(4-9(11,12)13)15-20(17,18)7-6(10)14-8-16(7)2-3-19-8/h2-3,5,15H,4H2,1H3
InChIKeyABJCXTQTUVLLRV-UHFFFAOYSA-N
MW347.77 g/mol
LogP2.67
Rot. Bonds4

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

6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 104854794) has the molecular formula C9H9ClF3N3O2S2 and a molecular weight of 347.77 g/mol. Its IUPAC name is 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID104854794
Molecular FormulaC9H9ClF3N3O2S2
Molecular Weight347.77 g/mol
Exact Mass346.98
IUPAC Name6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O2S2/c1-5(4-9(11,12)13)15-20(17,18)7-6(10)14-8-16(7)2-3-19-8/h2-3,5,15H,4H2,1H3
InChIKeyABJCXTQTUVLLRV-UHFFFAOYSA-N
XLogP2.67
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 104854794) is 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC(CC(F)(F)F)NS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is ABJCXTQTUVLLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O2S2/c1-5(4-9(11,12)13)15-20(17,18)7-6(10)14-8-16(7)2-3-19-8/h2-3,5,15H,4H2,1H3.
What are the key properties of 6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 347.77 g/mol, XLogP of 2.67, 4 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-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 104854794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).