potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane

C26H30KN3O3S — CID 163266150

About potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane

potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane (PubChem CID 163266150) has the molecular formula C26H30KN3O3S and a molecular weight of 503.71 g/mol. Its IUPAC name is potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane.

Molecular Properties

• Compound Name: potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane
• PubChem CID: 163266150
• Molecular Formula: C26H30KN3O3S
• Molecular Weight: 503.71 g/mol
• Exact Mass: 503.16
• IUPAC Name: potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane
• SMILES: CC.Cc1ncsc1-c1ccc(CNC=O)c(OCC(=O)C[N-]c2ccc3c(c2)CCC3)c1.[K+]
• InChI: InChI=1S/C24H24N3O3S.C2H6.K/c1-16-24(31-15-27-16)19-5-6-20(11-25-14-28)23(10-19)30-13-22(29)12-26-21-8-7-17-3-2-4-18(17)9-21;1-2;/h5-10,14-15H,2-4,11-13H2,1H3,(H,25,28);1-2H3;/q-1;;+1
• InChIKey: VHLDLFSINJSNLJ-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 82.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.71
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane?

The IUPAC name of potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane (CID 163266150) is potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane.

What is the SMILES notation for potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane?

The canonical SMILES for potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane is CC.Cc1ncsc1-c1ccc(CNC=O)c(OCC(=O)C[N-]c2ccc3c(c2)CCC3)c1.[K+].

What is the InChIKey of potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane?

The InChIKey is VHLDLFSINJSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N3O3S.C2H6.K/c1-16-24(31-15-27-16)19-5-6-20(11-25-14-28)23(10-19)30-13-22(29)12-26-21-8-7-17-3-2-4-18(17)9-21;1-2;/h5-10,14-15H,2-4,11-13H2,1H3,(H,25,28);1-2H3;/q-1;;+1.

What are the key properties of potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane?

potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane has a molecular weight of 503.71 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2,3-dihydro-1H-inden-5-yl-[3-[2-(formamidomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]-2-oxopropyl]azanide;ethane is sourced from PubChem (CID 163266150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).