N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide

C5H5F3N2O2S2 — CID 134100229

IUPACN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H5F3N2O2S2/c1-14(11,12)10-4-9-3(2-13-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyWQZPNNBYNYGDIO-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.53
Rot. Bonds2

About N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide

N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 134100229) has the molecular formula C5H5F3N2O2S2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID134100229
Molecular FormulaC5H5F3N2O2S2
Molecular Weight246.24 g/mol
Exact Mass245.97
IUPAC NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H5F3N2O2S2/c1-14(11,12)10-4-9-3(2-13-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyWQZPNNBYNYGDIO-UHFFFAOYSA-N
XLogP1.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide 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 N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide (CID 134100229) is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is WQZPNNBYNYGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2S2/c1-14(11,12)10-4-9-3(2-13-4)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 246.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 134100229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).