2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid

C6H9F2NO2S — CID 10899577

IUPAC2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid
SMILESO=C(O)CC1(C(F)F)NCCS1
InChIInChI=1S/C6H9F2NO2S/c7-5(8)6(3-4(10)11)9-1-2-12-6/h5,9H,1-3H2,(H,10,11)
InChIKeyOWBMFPSRFXLZQW-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.76
Rot. Bonds3

About 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid

2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid (PubChem CID 10899577) has the molecular formula C6H9F2NO2S and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid
PubChem CID10899577
Molecular FormulaC6H9F2NO2S
Molecular Weight197.21 g/mol
Exact Mass197.03
IUPAC Name2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid
SMILESO=C(O)CC1(C(F)F)NCCS1
InChIInChI=1S/C6H9F2NO2S/c7-5(8)6(3-4(10)11)9-1-2-12-6/h5,9H,1-3H2,(H,10,11)
InChIKeyOWBMFPSRFXLZQW-UHFFFAOYSA-N
XLogP0.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiazolidineacetic acid
CID 13451615
2-Chloro-4-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid
CID 151589148
2,4,4-Trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid
CID 20978193
3,3,3-Trifluoro-2-[(thiolan-3-ylamino)methyl]propanoic acid
CID 103269008
3-[2-(Trifluoromethylsulfanyl)ethylamino]butanoic acid
CID 106429302
4,4,4-Trifluoro-3-(2-methylsulfanylethylamino)butanoic acid
CID 162553016
2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
CID 165452010
2,2-Difluoro-3-[(thiolan-3-yl)amino]propanoic acid
CID 165463840
2,2-Difluoro-3-{[(thiolan-2-yl)methyl]amino}propanoic acid
CID 165465858
2,2-Difluoro-3-[(5-methylthiolan-3-yl)amino]propanoic acid
CID 165467222
3-{[1-(Ethylsulfanyl)propan-2-yl]amino}-2,2-difluoropropanoic acid
CID 165788939
3-{[(1,3-Dithiolan-2-yl)methyl]amino}-2,2-difluoropropanoic acid
CID 165789095

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid (CID 10899577) is 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid is O=C(O)CC1(C(F)F)NCCS1.
What is the InChIKey of 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid?
The InChIKey is OWBMFPSRFXLZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2S/c7-5(8)6(3-4(10)11)9-1-2-12-6/h5,9H,1-3H2,(H,10,11).
What are the key properties of 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid?
2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid has a molecular weight of 197.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid is sourced from PubChem (CID 10899577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).