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

C5H7F2N3O2S2 — CID 130687209

IUPAC2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC(F)F)s1
InChIInChI=1S/C5H7F2N3O2S2/c6-3(7)1-9-5-10-2-4(13-5)14(8,11)12/h2-3H,1H2,(H,9,10)(H2,8,11,12)
InChIKeyCDAPMLKHFWHWNW-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.47
Rot. Bonds4

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

2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 130687209) has the molecular formula C5H7F2N3O2S2 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide
PubChem CID130687209
Molecular FormulaC5H7F2N3O2S2
Molecular Weight243.26 g/mol
Exact Mass242.99
IUPAC Name2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC(F)F)s1
InChIInChI=1S/C5H7F2N3O2S2/c6-3(7)1-9-5-10-2-4(13-5)14(8,11)12/h2-3H,1H2,(H,9,10)(H2,8,11,12)
InChIKeyCDAPMLKHFWHWNW-UHFFFAOYSA-N
XLogP0.47
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide (CID 130687209) is 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC(F)F)s1.
What is the InChIKey of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is CDAPMLKHFWHWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S2/c6-3(7)1-9-5-10-2-4(13-5)14(8,11)12/h2-3H,1H2,(H,9,10)(H2,8,11,12).
What are the key properties of 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide?
2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 243.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 130687209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).