2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid

C17H22N2O5S — CID 119255611

IUPAC2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCCC(=O)N1CSCC1C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H22N2O5S/c1-2-15(20)19-11-25-10-14(19)17(23)18-8-7-12-3-5-13(6-4-12)24-9-16(21)22/h3-6,14H,2,7-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyZHGAZAMICDKOPM-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.12
Rot. Bonds8

About 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid

2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 119255611) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID119255611
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCCC(=O)N1CSCC1C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H22N2O5S/c1-2-15(20)19-11-25-10-14(19)17(23)18-8-7-12-3-5-13(6-4-12)24-9-16(21)22/h3-6,14H,2,7-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyZHGAZAMICDKOPM-UHFFFAOYSA-N
XLogP1.12
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid 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

3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664
2-[4-[2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255649
2-[4-[2-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
CID 125133876
2-[4-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
CID 125133879
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255824
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 119255611) is 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid is CCC(=O)N1CSCC1C(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is ZHGAZAMICDKOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-2-15(20)19-11-25-10-14(19)17(23)18-8-7-12-3-5-13(6-4-12)24-9-16(21)22/h3-6,14H,2,7-11H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 366.44 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).