(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

C17H15Cl2NO3S — CID 1044847

IUPAC(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1
InChIInChI=1S/C17H15Cl2NO3S/c18-13-5-2-6-14(19)12(13)8-23-11-4-1-3-10(7-11)16-20-15(9-24-16)17(21)22/h1-7,15-16,20H,8-9H2,(H,21,22)/t15-,16+/m0/s1
InChIKeyTUAYBXDAXJXDSJ-JKSUJKDBSA-N
MW384.28 g/mol
LogP4.36
Rot. Bonds5

About (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 1044847) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID1044847
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC Name(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1
InChIInChI=1S/C17H15Cl2NO3S/c18-13-5-2-6-14(19)12(13)8-23-11-4-1-3-10(7-11)16-20-15(9-24-16)17(21)22/h1-7,15-16,20H,8-9H2,(H,21,22)/t15-,16+/m0/s1
InChIKeyTUAYBXDAXJXDSJ-JKSUJKDBSA-N
XLogP4.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 22332023
(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
(2S,4R)-2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1273842
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491
2-[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19616029
(2S,4S)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044848
(2R,4R)-2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728224
(2S,4R)-2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728223
(2S,4S)-2-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1088908
(2S,4R)-2-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51857496
2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 81145914

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 1044847) is (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N1.
What is the InChIKey of (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TUAYBXDAXJXDSJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c18-13-5-2-6-14(19)12(13)8-23-11-4-1-3-10(7-11)16-20-15(9-24-16)17(21)22/h1-7,15-16,20H,8-9H2,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 384.28 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 1044847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).