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

C9H13F3N2O3S2 — CID 54884473

IUPAC4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H13F3N2O3S2/c1-3-4-14(5-9(10,11)12)19(16,17)7-6(2)13-8(15)18-7/h3-5H2,1-2H3,(H,13,15)
InChIKeyQYIQJFUKXBGLBG-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.71
Rot. Bonds5

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

4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884473) has the molecular formula C9H13F3N2O3S2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884473
Molecular FormulaC9H13F3N2O3S2
Molecular Weight318.34 g/mol
Exact Mass318.03
IUPAC Name4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H13F3N2O3S2/c1-3-4-14(5-9(10,11)12)19(16,17)7-6(2)13-8(15)18-7/h3-5H2,1-2H3,(H,13,15)
InChIKeyQYIQJFUKXBGLBG-UHFFFAOYSA-N
XLogP1.71
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (CID 54884473) is 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is QYIQJFUKXBGLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3S2/c1-3-4-14(5-9(10,11)12)19(16,17)7-6(2)13-8(15)18-7/h3-5H2,1-2H3,(H,13,15).
What are the key properties of 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 318.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).