3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C14H16FNO4S — CID 63792492

IUPAC3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(CC(=O)N2C(C)SCC2C(=O)O)cc1F
InChIInChI=1S/C14H16FNO4S/c1-8-16(11(7-21-8)14(18)19)13(17)6-9-3-4-12(20-2)10(15)5-9/h3-5,8,11H,6-7H2,1-2H3,(H,18,19)
InChIKeyFMAPYQDXLZXHFF-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792492) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792492
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Name3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccc(CC(=O)N2C(C)SCC2C(=O)O)cc1F
InChIInChI=1S/C14H16FNO4S/c1-8-16(11(7-21-8)14(18)19)13(17)6-9-3-4-12(20-2)10(15)5-9/h3-5,8,11H,6-7H2,1-2H3,(H,18,19)
InChIKeyFMAPYQDXLZXHFF-UHFFFAOYSA-N
XLogP1.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methoxybenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792333
3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780776
(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
2-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 119178808
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxopyrrolidine-2-carboxylic acid
CID 82122955
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785527
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
3-(2,4-dimethoxybenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793202

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63792492) is 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is COc1ccc(CC(=O)N2C(C)SCC2C(=O)O)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FMAPYQDXLZXHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c1-8-16(11(7-21-8)14(18)19)13(17)6-9-3-4-12(20-2)10(15)5-9/h3-5,8,11H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-methoxyphenyl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).