2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

C17H16ClNO3S — CID 22332023

IUPAC2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc(OCc3ccccc3Cl)c2)N1
InChIInChI=1S/C17H16ClNO3S/c18-14-7-2-1-4-12(14)9-22-13-6-3-5-11(8-13)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)
InChIKeyAGTMYOZRLWANDT-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.71
Rot. Bonds5

About 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 22332023) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID22332023
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc(OCc3ccccc3Cl)c2)N1
InChIInChI=1S/C17H16ClNO3S/c18-14-7-2-1-4-12(14)9-22-13-6-3-5-11(8-13)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)
InChIKeyAGTMYOZRLWANDT-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044847
(2S,4S)-2-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1088908
(2S,4S)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044848
(2R,4R)-2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044855
(2S,4R)-2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044854
(2R,4R)-2-[4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1273319
2-[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19616029
(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
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491
(2S,4R)-2-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51857496
(2R,4R)-2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728224

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 22332023) is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cccc(OCc3ccccc3Cl)c2)N1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AGTMYOZRLWANDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c18-14-7-2-1-4-12(14)9-22-13-6-3-5-11(8-13)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21).
What are the key properties of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 349.84 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 22332023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).