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

C7H9F3N2O3S2 — CID 55176308

IUPAC4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H9F3N2O3S2/c1-4-5(16-6(13)12-4)17(14,15)11-3-2-7(8,9)10/h11H,2-3H2,1H3,(H,12,13)
InChIKeyYESUXWKUMFEVGP-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.98
Rot. Bonds4

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

4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 55176308) has the molecular formula C7H9F3N2O3S2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID55176308
Molecular FormulaC7H9F3N2O3S2
Molecular Weight290.29 g/mol
Exact Mass290.00
IUPAC Name4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H9F3N2O3S2/c1-4-5(16-6(13)12-4)17(14,15)11-3-2-7(8,9)10/h11H,2-3H2,1H3,(H,12,13)
InChIKeyYESUXWKUMFEVGP-UHFFFAOYSA-N
XLogP0.98
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide (CID 55176308) is 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is YESUXWKUMFEVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3S2/c1-4-5(16-6(13)12-4)17(14,15)11-3-2-7(8,9)10/h11H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 290.29 g/mol, XLogP of 0.98, 4 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-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55176308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).