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

C6H7F3N2O3S2 — CID 60985032

IUPAC4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H7F3N2O3S2/c1-3-4(15-5(12)11-3)16(13,14)10-2-6(7,8)9/h10H,2H2,1H3,(H,11,12)
InChIKeyVPBDHWSOEHFLNA-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.59
Rot. Bonds3

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

4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60985032) has the molecular formula C6H7F3N2O3S2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID60985032
Molecular FormulaC6H7F3N2O3S2
Molecular Weight276.26 g/mol
Exact Mass275.99
IUPAC Name4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H7F3N2O3S2/c1-3-4(15-5(12)11-3)16(13,14)10-2-6(7,8)9/h10H,2H2,1H3,(H,11,12)
InChIKeyVPBDHWSOEHFLNA-UHFFFAOYSA-N
XLogP0.59
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.59
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-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (CID 60985032) is 4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is VPBDHWSOEHFLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O3S2/c1-3-4(15-5(12)11-3)16(13,14)10-2-6(7,8)9/h10H,2H2,1H3,(H,11,12).
What are the key properties of 4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 276.26 g/mol, XLogP of 0.59, 3 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-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60985032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).