(2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

C17H15Cl2NO3S — CID 7282540

IUPAC(2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])[C@@H]1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)[NH2+]1
InChIInChI=1S/C17H15Cl2NO3S/c18-12-5-4-11(14(19)7-12)8-23-13-3-1-2-10(6-13)16-20-15(9-24-16)17(21)22/h1-7,15-16,20H,8-9H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyBPHGDLZTRUYOOJ-HOTGVXAUSA-N
MW384.28 g/mol
LogP2.00
Rot. Bonds5

About (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

(2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate (PubChem CID 7282540) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate.

Molecular Properties

Compound Name(2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
PubChem CID7282540
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC Name(2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
SMILESO=C([O-])[C@@H]1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)[NH2+]1
InChIInChI=1S/C17H15Cl2NO3S/c18-12-5-4-11(14(19)7-12)8-23-13-3-1-2-10(6-13)16-20-15(9-24-16)17(21)22/h1-7,15-16,20H,8-9H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyBPHGDLZTRUYOOJ-HOTGVXAUSA-N
XLogP2.00
TPSA65.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846980
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one
CID 1477571
4-[[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27108948
(2S,4S)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044848
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
methyl 4-[3-[(2,4-dichlorophenyl)methoxy]phenoxy]butanoate
CID 123685242
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 22332023
2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
CID 5078204
ethyl (E)-3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685540
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126371372

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
The IUPAC name of (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate (CID 7282540) is (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate.
What is the SMILES notation for (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
The canonical SMILES for (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate is O=C([O-])[C@@H]1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)[NH2+]1.
What is the InChIKey of (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
The InChIKey is BPHGDLZTRUYOOJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c18-12-5-4-11(14(19)7-12)8-23-13-3-1-2-10(6-13)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 (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
(2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate has a molecular weight of 384.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate is sourced from PubChem (CID 7282540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).