4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine

C14H20N2S — CID 66230286

IUPAC4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine
SMILESCCC1CSC(c2ccc3c(c2)CCN3C)N1
InChIInChI=1S/C14H20N2S/c1-3-12-9-17-14(15-12)11-4-5-13-10(8-11)6-7-16(13)2/h4-5,8,12,14-15H,3,6-7,9H2,1-2H3
InChIKeyJLLSCNUAKJSEQC-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.79
Rot. Bonds2

About 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine

4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine (PubChem CID 66230286) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine
PubChem CID66230286
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine
SMILESCCC1CSC(c2ccc3c(c2)CCN3C)N1
InChIInChI=1S/C14H20N2S/c1-3-12-9-17-14(15-12)11-4-5-13-10(8-11)6-7-16(13)2/h4-5,8,12,14-15H,3,6-7,9H2,1-2H3
InChIKeyJLLSCNUAKJSEQC-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
The IUPAC name of 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine (CID 66230286) is 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine.
What is the SMILES notation for 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
The canonical SMILES for 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine is CCC1CSC(c2ccc3c(c2)CCN3C)N1.
What is the InChIKey of 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
The InChIKey is JLLSCNUAKJSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-12-9-17-14(15-12)11-4-5-13-10(8-11)6-7-16(13)2/h4-5,8,12,14-15H,3,6-7,9H2,1-2H3.
What are the key properties of 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine has a molecular weight of 248.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine is sourced from PubChem (CID 66230286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).