2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide

C5H6F2N2O2S2 — CID 155973089

IUPAC2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(F)(F)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C5H6F2N2O2S2/c1-5(6,7)4-9-2-3(12-4)13(8,10)11/h2H,1H3,(H2,8,10,11)
InChIKeyNRKUNXKNGJBGLX-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.90
Rot. Bonds2

About 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide

2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 155973089) has the molecular formula C5H6F2N2O2S2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID155973089
Molecular FormulaC5H6F2N2O2S2
Molecular Weight228.25 g/mol
Exact Mass227.98
IUPAC Name2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(F)(F)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C5H6F2N2O2S2/c1-5(6,7)4-9-2-3(12-4)13(8,10)11/h2H,1H3,(H2,8,10,11)
InChIKeyNRKUNXKNGJBGLX-UHFFFAOYSA-N
XLogP0.90
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide (CID 155973089) is 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide is CC(F)(F)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is NRKUNXKNGJBGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O2S2/c1-5(6,7)4-9-2-3(12-4)13(8,10)11/h2H,1H3,(H2,8,10,11).
What are the key properties of 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 228.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 155973089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).