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

C20H20N2O2S — CID 74227128

IUPAC2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
SMILESCn1cc(C2SCC(=O)N2CCOc2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N2O2S/c1-21-13-17(16-9-5-6-10-18(16)21)20-22(19(23)14-25-20)11-12-24-15-7-3-2-4-8-15/h2-10,13,20H,11-12,14H2,1H3
InChIKeyYYDNTUAYXROICX-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.83
Rot. Bonds5

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

2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 74227128) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
PubChem CID74227128
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
SMILESCn1cc(C2SCC(=O)N2CCOc2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N2O2S/c1-21-13-17(16-9-5-6-10-18(16)21)20-22(19(23)14-25-20)11-12-24-15-7-3-2-4-8-15/h2-10,13,20H,11-12,14H2,1H3
InChIKeyYYDNTUAYXROICX-UHFFFAOYSA-N
XLogP3.83
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3421491
ethyl 2-[2-(1-methylindol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 23823027
3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4657694
3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3781995
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3866351
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one (CID 74227128) is 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one is Cn1cc(C2SCC(=O)N2CCOc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is YYDNTUAYXROICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-21-13-17(16-9-5-6-10-18(16)21)20-22(19(23)14-25-20)11-12-24-15-7-3-2-4-8-15/h2-10,13,20H,11-12,14H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
2-(1-methylindol-3-yl)-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 3.83, 5 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-(2-phenoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 74227128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).