3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C20H18N2O3S — CID 22359682

IUPAC3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CN3C(=O)CSC3=O)cc2)cc2ccccc21
InChIInChI=1S/C20H18N2O3S/c1-21-16(10-15-4-2-3-5-18(15)21)12-25-17-8-6-14(7-9-17)11-22-19(23)13-26-20(22)24/h2-10H,11-13H2,1H3
InChIKeyCWCJFOMINRXAQH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.95
Rot. Bonds5

About 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 22359682) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID22359682
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CN3C(=O)CSC3=O)cc2)cc2ccccc21
InChIInChI=1S/C20H18N2O3S/c1-21-16(10-15-4-2-3-5-18(15)21)12-25-17-8-6-14(7-9-17)11-22-19(23)13-26-20(22)24/h2-10H,11-13H2,1H3
InChIKeyCWCJFOMINRXAQH-UHFFFAOYSA-N
XLogP3.95
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 22359682) is 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CN3C(=O)CSC3=O)cc2)cc2ccccc21.
What is the InChIKey of 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CWCJFOMINRXAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-21-16(10-15-4-2-3-5-18(15)21)12-25-17-8-6-14(7-9-17)11-22-19(23)13-26-20(22)24/h2-10H,11-13H2,1H3.
What are the key properties of 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 366.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 22359682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).