(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

C11H11F2NO2S — CID 115524578

IUPAC(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(C(F)F)cc2)N1
InChIInChI=1S/C11H11F2NO2S/c12-9(13)6-1-3-7(4-2-6)10-14-8(5-17-10)11(15)16/h1-4,8-10,14H,5H2,(H,15,16)/t8-,10?/m0/s1
InChIKeyKJUHZAVIZJCSHP-PEHGTWAWSA-N
MW259.28 g/mol
LogP2.41
Rot. Bonds3

About (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 115524578) has the molecular formula C11H11F2NO2S and a molecular weight of 259.28 g/mol. Its IUPAC name is (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID115524578
Molecular FormulaC11H11F2NO2S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(C(F)F)cc2)N1
InChIInChI=1S/C11H11F2NO2S/c12-9(13)6-1-3-7(4-2-6)10-14-8(5-17-10)11(15)16/h1-4,8-10,14H,5H2,(H,15,16)/t8-,10?/m0/s1
InChIKeyKJUHZAVIZJCSHP-PEHGTWAWSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
(2R,4S)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7018530
(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11242572
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491
2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 81145914
(4R)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 102101973
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 61147260
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 68806425

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 115524578) is (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2ccc(C(F)F)cc2)N1.
What is the InChIKey of (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KJUHZAVIZJCSHP-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H11F2NO2S/c12-9(13)6-1-3-7(4-2-6)10-14-8(5-17-10)11(15)16/h1-4,8-10,14H,5H2,(H,15,16)/t8-,10?/m0/s1.
What are the key properties of (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 259.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 115524578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).