2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid

C6H8F3NO2S — CID 165452010

IUPAC2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
SMILESO=C(O)CC1CS[C@@H](C(F)(F)F)N1
InChIInChI=1S/C6H8F3NO2S/c7-6(8,9)5-10-3(2-13-5)1-4(11)12/h3,5,10H,1-2H2,(H,11,12)/t3?,5-/m0/s1
InChIKeyBVUWIBAMKAZDPQ-PVPKANODSA-N
MW215.20 g/mol
LogP1.05
Rot. Bonds2

About 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid

2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid (PubChem CID 165452010) has the molecular formula C6H8F3NO2S and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
PubChem CID165452010
Molecular FormulaC6H8F3NO2S
Molecular Weight215.20 g/mol
Exact Mass215.02
IUPAC Name2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid
SMILESO=C(O)CC1CS[C@@H](C(F)(F)F)N1
InChIInChI=1S/C6H8F3NO2S/c7-6(8,9)5-10-3(2-13-5)1-4(11)12/h3,5,10H,1-2H2,(H,11,12)/t3?,5-/m0/s1
InChIKeyBVUWIBAMKAZDPQ-PVPKANODSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.05
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-[2-(Difluoromethyl)-1,3-thiazolidin-2-yl]acetic acid
CID 10899577
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
2,2-Difluoro-3-{[1-(methylsulfanyl)butan-2-yl]amino}propanoic acid
CID 165461783
2,2-Difluoro-3-[(4-methylthiolan-3-yl)amino]propanoic acid
CID 165462326
2,2-Difluoro-3-[(thiolan-3-yl)amino]propanoic acid
CID 165463840
2,2-Difluoro-3-[(5-methylthiolan-3-yl)amino]propanoic acid
CID 165467222
2,2-Difluoro-3-{[4-(methylsulfanyl)butan-2-yl]amino}propanoic acid
CID 165788938
3-{[1-(Ethylsulfanyl)propan-2-yl]amino}-2,2-difluoropropanoic acid
CID 165788939

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid (CID 165452010) is 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid is O=C(O)CC1CS[C@@H](C(F)(F)F)N1.
What is the InChIKey of 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
The InChIKey is BVUWIBAMKAZDPQ-PVPKANODSA-N. The full InChI is InChI=1S/C6H8F3NO2S/c7-6(8,9)5-10-3(2-13-5)1-4(11)12/h3,5,10H,1-2H2,(H,11,12)/t3?,5-/m0/s1.
What are the key properties of 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid?
2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid has a molecular weight of 215.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(trifluoromethyl)-1,3-thiazolidin-4-yl]acetic acid is sourced from PubChem (CID 165452010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).