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

C10H11ClF3N3O2S2 — CID 115486679

IUPAC6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H11ClF3N3O2S2/c11-7-8(17-5-6-20-9(17)16-7)21(18,19)15-4-2-1-3-10(12,13)14/h5-6,15H,1-4H2
InChIKeyWIBHWNZMALCBJR-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.06
Rot. Bonds6

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

6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 115486679) has the molecular formula C10H11ClF3N3O2S2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID115486679
Molecular FormulaC10H11ClF3N3O2S2
Molecular Weight361.80 g/mol
Exact Mass360.99
IUPAC Name6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCCC(F)(F)F)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H11ClF3N3O2S2/c11-7-8(17-5-6-20-9(17)16-7)21(18,19)15-4-2-1-3-10(12,13)14/h5-6,15H,1-4H2
InChIKeyWIBHWNZMALCBJR-UHFFFAOYSA-N
XLogP3.06
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 115486679) is 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCCCCC(F)(F)F)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is WIBHWNZMALCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2S2/c11-7-8(17-5-6-20-9(17)16-7)21(18,19)15-4-2-1-3-10(12,13)14/h5-6,15H,1-4H2.
What are the key properties of 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 361.80 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5,5,5-trifluoropentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 115486679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).