6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C10H13F3N4O2S2 — CID 115522035

IUPAC6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H13F3N4O2S2/c1-14-7-8(17-5-6-20-9(17)16-7)21(18,19)15-4-2-3-10(11,12)13/h5-6,14-15H,2-4H2,1H3
InChIKeyFZZILKLGLRYHSR-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.06
Rot. Bonds6

About 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 115522035) has the molecular formula C10H13F3N4O2S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID115522035
Molecular FormulaC10H13F3N4O2S2
Molecular Weight342.37 g/mol
Exact Mass342.04
IUPAC Name6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H13F3N4O2S2/c1-14-7-8(17-5-6-20-9(17)16-7)21(18,19)15-4-2-3-10(11,12)13/h5-6,14-15H,2-4H2,1H3
InChIKeyFZZILKLGLRYHSR-UHFFFAOYSA-N
XLogP2.06
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 115522035) is 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCCCC(F)(F)F.
What is the InChIKey of 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FZZILKLGLRYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S2/c1-14-7-8(17-5-6-20-9(17)16-7)21(18,19)15-4-2-3-10(11,12)13/h5-6,14-15H,2-4H2,1H3.
What are the key properties of 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 342.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 115522035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).