2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

C10H9ClFNO2S — CID 81145914

IUPAC2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C10H9ClFNO2S/c11-6-3-5(1-2-7(6)12)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)
InChIKeyIURBTZZYYHULBB-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.27
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 81145914) has the molecular formula C10H9ClFNO2S and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID81145914
Molecular FormulaC10H9ClFNO2S
Molecular Weight261.71 g/mol
Exact Mass261.00
IUPAC Name2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C10H9ClFNO2S/c11-6-3-5(1-2-7(6)12)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)
InChIKeyIURBTZZYYHULBB-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 83229962
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107773712
(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40649091
(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 704035
(2S,4S)-2-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728174
(2S,4S)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044848
(4R)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 104881292
(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774029
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491
(4R)-2-[4-(difluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 115524578
2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 68806425

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 81145914) is 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IURBTZZYYHULBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2S/c11-6-3-5(1-2-7(6)12)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 261.71 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 81145914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).