N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C13H6ClF6N3O2S2 — CID 10049399

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C13H6ClF6N3O2S2/c14-9-10(23-1-2-26-11(23)21-9)27(24,25)22-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5,22H
InChIKeyJXCBQTWPLGFOTM-UHFFFAOYSA-N
MW449.79 g/mol
LogP4.89
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 10049399) has the molecular formula C13H6ClF6N3O2S2 and a molecular weight of 449.79 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID10049399
Molecular FormulaC13H6ClF6N3O2S2
Molecular Weight449.79 g/mol
Exact Mass448.95
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C13H6ClF6N3O2S2/c14-9-10(23-1-2-26-11(23)21-9)27(24,25)22-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5,22H
InChIKeyJXCBQTWPLGFOTM-UHFFFAOYSA-N
XLogP4.89
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 10049399) is N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)nc2sccn12.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JXCBQTWPLGFOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF6N3O2S2/c14-9-10(23-1-2-26-11(23)21-9)27(24,25)22-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5,22H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 449.79 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 10049399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).