3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one

C14H19NO2S — CID 3849809

IUPAC3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1ccccc1C
InChIInChI=1S/C14H19NO2S/c1-11-6-3-4-7-12(11)14-15(8-5-9-17-2)13(16)10-18-14/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyGZUYHQBWWTZEFJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.61
Rot. Bonds5

About 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one

3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3849809) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID3849809
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1ccccc1C
InChIInChI=1S/C14H19NO2S/c1-11-6-3-4-7-12(11)14-15(8-5-9-17-2)13(16)10-18-14/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyGZUYHQBWWTZEFJ-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3421491
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
3-(3-butoxypropyl)-2-(2-prop-2-enoxyphenyl)-1,3-thiazolidin-4-one
CID 4679956
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778638

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 3849809) is 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is COCCCN1C(=O)CSC1c1ccccc1C.
What is the InChIKey of 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is GZUYHQBWWTZEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11-6-3-4-7-12(11)14-15(8-5-9-17-2)13(16)10-18-14/h3-4,6-7,14H,5,8-10H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3849809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).