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

C13H18N2S — CID 66241827

IUPAC5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine
SMILESCC1CNC(c2ccc3c(c2)CCN3C)S1
InChIInChI=1S/C13H18N2S/c1-9-8-14-13(16-9)11-3-4-12-10(7-11)5-6-15(12)2/h3-4,7,9,13-14H,5-6,8H2,1-2H3
InChIKeyPHJIECUTIODAOH-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.40
Rot. Bonds1

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

5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine (PubChem CID 66241827) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine
PubChem CID66241827
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine
SMILESCC1CNC(c2ccc3c(c2)CCN3C)S1
InChIInChI=1S/C13H18N2S/c1-9-8-14-13(16-9)11-3-4-12-10(7-11)5-6-15(12)2/h3-4,7,9,13-14H,5-6,8H2,1-2H3
InChIKeyPHJIECUTIODAOH-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.40
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 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine (CID 66241827) is 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine is CC1CNC(c2ccc3c(c2)CCN3C)S1.
What is the InChIKey of 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
The InChIKey is PHJIECUTIODAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9-8-14-13(16-9)11-3-4-12-10(7-11)5-6-15(12)2/h3-4,7,9,13-14H,5-6,8H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine?
5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine has a molecular weight of 234.37 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazolidine is sourced from PubChem (CID 66241827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).