2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one

C18H24N2O2S — CID 3421491

IUPAC2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O2S/c1-3-10-22-11-6-9-20-17(21)13-23-18(20)15-12-19(2)16-8-5-4-7-14(15)16/h4-5,7-8,12,18H,3,6,9-11,13H2,1-2H3
InChIKeyVZFKAVWDCGVODA-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.57
Rot. Bonds7

About 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one

2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3421491) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
PubChem CID3421491
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O2S/c1-3-10-22-11-6-9-20-17(21)13-23-18(20)15-12-19(2)16-8-5-4-7-14(15)16/h4-5,7-8,12,18H,3,6,9-11,13H2,1-2H3
InChIKeyVZFKAVWDCGVODA-UHFFFAOYSA-N
XLogP3.57
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-2-(1-methylindol-3-yl)-1,3-thiazolidin-4-one
CID 23995593
2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
CID 74227128
ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 23823027
3-(3-butoxypropyl)-2-(2-prop-2-enoxyphenyl)-1,3-thiazolidin-4-one
CID 4679956
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
3-(3-propoxypropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3852808
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one (CID 3421491) is 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one is CCCOCCCN1C(=O)CSC1c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is VZFKAVWDCGVODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-10-22-11-6-9-20-17(21)13-23-18(20)15-12-19(2)16-8-5-4-7-14(15)16/h4-5,7-8,12,18H,3,6,9-11,13H2,1-2H3.
What are the key properties of 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 332.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3421491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).