2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid

C8H8F2N2O4S2 — CID 138673834

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C8H8F2N2O4S2/c9-8(10,6(13)14)5-3-17-7(11-5)12-18(15,16)4-1-2-4/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyWSXAFRQVZIUDMB-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid (PubChem CID 138673834) has the molecular formula C8H8F2N2O4S2 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid
PubChem CID138673834
Molecular FormulaC8H8F2N2O4S2
Molecular Weight298.29 g/mol
Exact Mass297.99
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C8H8F2N2O4S2/c9-8(10,6(13)14)5-3-17-7(11-5)12-18(15,16)4-1-2-4/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyWSXAFRQVZIUDMB-UHFFFAOYSA-N
XLogP1.22
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Amino-1,3-thiazol-4-yl)acetic acid
CID 34665
2-(2-Methanesulfonamido-1,3-thiazol-4-yl)acetic acid
CID 3159575
Ethyl 2-methanesulfonamidothiazol-4-ylacetate
CID 3145078
2-(2-Amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid
CID 136575771
2-(2-Amino-1,3-thiazol-4-yl)-2-(trifluoromethoxyimino)acetic acid
CID 54126710
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(trifluoromethoxyimino)acetic acid
CID 88334851
Methyl 2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanoate
CID 138673481
Ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetate
CID 138673749
2-Methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid
CID 138673990
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid;trifluoromethanesulfonic acid
CID 175688956
2-(2-Amino-1,3-thiazol-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 177701473
2-[2-(Difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 28606611

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid (CID 138673834) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid?
The InChIKey is WSXAFRQVZIUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4S2/c9-8(10,6(13)14)5-3-17-7(11-5)12-18(15,16)4-1-2-4/h3-4H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid has a molecular weight of 298.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2,2-difluoroacetic acid is sourced from PubChem (CID 138673834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).