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

C10H11ClF3N3O2S2 — CID 61046685

IUPAC6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H11ClF3N3O2S2/c1-2-3-16(6-10(12,13)14)21(18,19)8-7(11)15-9-17(8)4-5-20-9/h4-5H,2-3,6H2,1H3
InChIKeyDZTOKIUZNAEJCT-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.01
Rot. Bonds5

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

6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 61046685) has the molecular formula C10H11ClF3N3O2S2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID61046685
Molecular FormulaC10H11ClF3N3O2S2
Molecular Weight361.80 g/mol
Exact Mass360.99
IUPAC Name6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H11ClF3N3O2S2/c1-2-3-16(6-10(12,13)14)21(18,19)8-7(11)15-9-17(8)4-5-20-9/h4-5H,2-3,6H2,1H3
InChIKeyDZTOKIUZNAEJCT-UHFFFAOYSA-N
XLogP3.01
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 61046685) is 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DZTOKIUZNAEJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2S2/c1-2-3-16(6-10(12,13)14)21(18,19)8-7(11)15-9-17(8)4-5-20-9/h4-5H,2-3,6H2,1H3.
What are the key properties of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 361.80 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 61046685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).