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

C7H9F3N2O3S2 — CID 54884279

IUPACN,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H9F3N2O3S2/c1-4-5(16-6(13)11-4)17(14,15)12(2)3-7(8,9)10/h3H2,1-2H3,(H,11,13)
InChIKeyWATZCIGPSPVWTG-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.93
Rot. Bonds3

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

N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884279) has the molecular formula C7H9F3N2O3S2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884279
Molecular FormulaC7H9F3N2O3S2
Molecular Weight290.29 g/mol
Exact Mass290.00
IUPAC NameN,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H9F3N2O3S2/c1-4-5(16-6(13)11-4)17(14,15)12(2)3-7(8,9)10/h3H2,1-2H3,(H,11,13)
InChIKeyWATZCIGPSPVWTG-UHFFFAOYSA-N
XLogP0.93
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (CID 54884279) is N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is WATZCIGPSPVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3S2/c1-4-5(16-6(13)11-4)17(14,15)12(2)3-7(8,9)10/h3H2,1-2H3,(H,11,13).
What are the key properties of N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 290.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).