2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

C6H6F2N2O4S2 — CID 28606611

IUPAC2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C6H6F2N2O4S2/c7-5(8)16(13,14)10-6-9-3(2-15-6)1-4(11)12/h2,5H,1H2,(H,9,10)(H,11,12)
InChIKeyYEMGJNGBUSYRCC-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.73
Rot. Bonds5

About 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 28606611) has the molecular formula C6H6F2N2O4S2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID28606611
Molecular FormulaC6H6F2N2O4S2
Molecular Weight272.25 g/mol
Exact Mass271.97
IUPAC Name2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C6H6F2N2O4S2/c7-5(8)16(13,14)10-6-9-3(2-15-6)1-4(11)12/h2,5H,1H2,(H,9,10)(H,11,12)
InChIKeyYEMGJNGBUSYRCC-UHFFFAOYSA-N
XLogP0.73
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid (CID 28606611) is 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YEMGJNGBUSYRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O4S2/c7-5(8)16(13,14)10-6-9-3(2-15-6)1-4(11)12/h2,5H,1H2,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 272.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 28606611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).