(2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate

C18H18FNO4S — CID 7662032

IUPAC(2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate
SMILESCOc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1COc1ccccc1F
InChIInChI=1S/C18H18FNO4S/c1-23-15-7-6-11(17-20-14(10-25-17)18(21)22)8-12(15)9-24-16-5-3-2-4-13(16)19/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)/t14-,17+/m1/s1
InChIKeyGRJJJKPMQQOBLI-PBHICJAKSA-N
MW363.41 g/mol
LogP0.84
Rot. Bonds6

About (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate

(2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate (PubChem CID 7662032) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate.

Molecular Properties

Compound Name(2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate
PubChem CID7662032
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name(2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate
SMILESCOc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1COc1ccccc1F
InChIInChI=1S/C18H18FNO4S/c1-23-15-7-6-11(17-20-14(10-25-17)18(21)22)8-12(15)9-24-16-5-3-2-4-13(16)19/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)/t14-,17+/m1/s1
InChIKeyGRJJJKPMQQOBLI-PBHICJAKSA-N
XLogP0.84
TPSA75.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-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

(2R,4R)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate
CID 7662029
2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
CID 5082076
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate
CID 5175011
(2S,4R)-2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
CID 6965261
(3S,7aS)-6-butyl-3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 40971492
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
(2S,4R)-2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate
CID 7282540
(2S,4R)-2-(2-ethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate
CID 6929016
(E)-1-(2,5-dimethoxyphenyl)-3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19568880
methyl 1-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 17123873
3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065
(E)-1-(2,4-dichlorophenyl)-3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19564756

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
The IUPAC name of (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate (CID 7662032) is (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate.
What is the SMILES notation for (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
The canonical SMILES for (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate is COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1COc1ccccc1F.
What is the InChIKey of (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
The InChIKey is GRJJJKPMQQOBLI-PBHICJAKSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-23-15-7-6-11(17-20-14(10-25-17)18(21)22)8-12(15)9-24-16-5-3-2-4-13(16)19/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)/t14-,17+/m1/s1.
What are the key properties of (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate?
(2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate is sourced from PubChem (CID 7662032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).