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

C8H9F3N4O2S2 — CID 63227518

IUPAC6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C8H9F3N4O2S2/c9-8(10,11)1-2-13-19(16,17)6-5(12)14-7-15(6)3-4-18-7/h3-4,13H,1-2,12H2
InChIKeyHMOZAUXJWLLUDZ-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.21
Rot. Bonds4

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

6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63227518) has the molecular formula C8H9F3N4O2S2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63227518
Molecular FormulaC8H9F3N4O2S2
Molecular Weight314.31 g/mol
Exact Mass314.01
IUPAC Name6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C8H9F3N4O2S2/c9-8(10,11)1-2-13-19(16,17)6-5(12)14-7-15(6)3-4-18-7/h3-4,13H,1-2,12H2
InChIKeyHMOZAUXJWLLUDZ-UHFFFAOYSA-N
XLogP1.21
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63227518) is 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HMOZAUXJWLLUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S2/c9-8(10,11)1-2-13-19(16,17)6-5(12)14-7-15(6)3-4-18-7/h3-4,13H,1-2,12H2.
What are the key properties of 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 314.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63227518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).