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

C8H10F2N2O4S2 — CID 80655645

IUPAC4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O4S2/c9-7(10)18(15,16)12-8-11-5(4-17-8)2-1-3-6(13)14/h4,7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyZRCKHXDYJYPBQF-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.51
Rot. Bonds7

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

4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655645) has the molecular formula C8H10F2N2O4S2 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655645
Molecular FormulaC8H10F2N2O4S2
Molecular Weight300.31 g/mol
Exact Mass300.01
IUPAC Name4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C8H10F2N2O4S2/c9-7(10)18(15,16)12-8-11-5(4-17-8)2-1-3-6(13)14/h4,7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyZRCKHXDYJYPBQF-UHFFFAOYSA-N
XLogP1.51
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid (CID 80655645) is 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is ZRCKHXDYJYPBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O4S2/c9-7(10)18(15,16)12-8-11-5(4-17-8)2-1-3-6(13)14/h4,7H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 300.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).