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

C9H9ClF3N3O2S2 — CID 63239620

IUPAC6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O2S2/c1-15(3-2-9(11,12)13)20(17,18)7-6(10)14-8-16(7)4-5-19-8/h4-5H,2-3H2,1H3
InChIKeyJXJKFKKVIQDXIK-UHFFFAOYSA-N
MW347.77 g/mol
LogP2.62
Rot. Bonds4

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

6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63239620) has the molecular formula C9H9ClF3N3O2S2 and a molecular weight of 347.77 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63239620
Molecular FormulaC9H9ClF3N3O2S2
Molecular Weight347.77 g/mol
Exact Mass346.98
IUPAC Name6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H9ClF3N3O2S2/c1-15(3-2-9(11,12)13)20(17,18)7-6(10)14-8-16(7)4-5-19-8/h4-5H,2-3H2,1H3
InChIKeyJXJKFKKVIQDXIK-UHFFFAOYSA-N
XLogP2.62
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63239620) is 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JXJKFKKVIQDXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O2S2/c1-15(3-2-9(11,12)13)20(17,18)7-6(10)14-8-16(7)4-5-19-8/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 347.77 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63239620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).