5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione

C18H15N3O3S — CID 139728281

IUPAC5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cc3cc(OCc4ccccn4)ccc3[nH]2)S1
InChIInChI=1S/C18H15N3O3S/c22-17-16(25-18(23)21-17)9-13-7-11-8-14(4-5-15(11)20-13)24-10-12-3-1-2-6-19-12/h1-8,16,20H,9-10H2,(H,21,22,23)
InChIKeyQARLPTXXBNLIQS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.04
Rot. Bonds5

About 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 139728281) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID139728281
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cc3cc(OCc4ccccn4)ccc3[nH]2)S1
InChIInChI=1S/C18H15N3O3S/c22-17-16(25-18(23)21-17)9-13-7-11-8-14(4-5-15(11)20-13)24-10-12-3-1-2-6-19-12/h1-8,16,20H,9-10H2,(H,21,22,23)
InChIKeyQARLPTXXBNLIQS-UHFFFAOYSA-N
XLogP3.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
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 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 139728281) is 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2cc3cc(OCc4ccccn4)ccc3[nH]2)S1.
What is the InChIKey of 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is QARLPTXXBNLIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-17-16(25-18(23)21-17)9-13-7-11-8-14(4-5-15(11)20-13)24-10-12-3-1-2-6-19-12/h1-8,16,20H,9-10H2,(H,21,22,23).
What are the key properties of 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 353.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 139728281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).