N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C8H12F2N2O3S2 — CID 136531966

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H12F2N2O3S2/c1-5-7(16-6(2)12-5)17(14,15)11-3-8(9,10)4-13/h11,13H,3-4H2,1-2H3
InChIKeyIXBZXUMDUYTMPK-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.67
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 136531966) has the molecular formula C8H12F2N2O3S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID136531966
Molecular FormulaC8H12F2N2O3S2
Molecular Weight286.33 g/mol
Exact Mass286.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H12F2N2O3S2/c1-5-7(16-6(2)12-5)17(14,15)11-3-8(9,10)4-13/h11,13H,3-4H2,1-2H3
InChIKeyIXBZXUMDUYTMPK-UHFFFAOYSA-N
XLogP0.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-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 N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 136531966) is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCC(F)(F)CO)s1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IXBZXUMDUYTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3S2/c1-5-7(16-6(2)12-5)17(14,15)11-3-8(9,10)4-13/h11,13H,3-4H2,1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 136531966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).