4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide

C7H8F4N2O3S2 — CID 106293630

IUPAC4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4N2O3S2/c1-3-4(17-6(14)13-3)18(15,16)12-2-7(10,11)5(8)9/h5,12H,2H2,1H3,(H,13,14)
InChIKeyIUFLMYHYWLUVAR-UHFFFAOYSA-N
MW308.28 g/mol
LogP0.92
Rot. Bonds5

About 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 106293630) has the molecular formula C7H8F4N2O3S2 and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID106293630
Molecular FormulaC7H8F4N2O3S2
Molecular Weight308.28 g/mol
Exact Mass307.99
IUPAC Name4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4N2O3S2/c1-3-4(17-6(14)13-3)18(15,16)12-2-7(10,11)5(8)9/h5,12H,2H2,1H3,(H,13,14)
InChIKeyIUFLMYHYWLUVAR-UHFFFAOYSA-N
XLogP0.92
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide (CID 106293630) is 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is IUFLMYHYWLUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2O3S2/c1-3-4(17-6(14)13-3)18(15,16)12-2-7(10,11)5(8)9/h5,12H,2H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 308.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106293630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).