2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium

C18H24N5O3S+ — CID 7423919

About 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium

2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium (PubChem CID 7423919) has the molecular formula C18H24N5O3S+ and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
• PubChem CID: 7423919
• Molecular Formula: C18H24N5O3S+
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.16
• IUPAC Name: 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
• SMILES: COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCC[NH+](C)C)CSC3)cc1
• InChI: InChI=1S/C18H23N5O3S/c1-22(2)9-8-19-17(24)18(25)20-16-14-10-27-11-15(14)21-23(16)12-4-6-13(26-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,19,24)(H,20,25)/p+1
• InChIKey: ILUQYNZWIBQBAG-UHFFFAOYSA-O
• XLogP: -0.17
• TPSA: 89.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?

The IUPAC name of 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium (CID 7423919) is 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium.

What is the SMILES notation for 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?

The canonical SMILES for 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium is COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCC[NH+](C)C)CSC3)cc1.

What is the InChIKey of 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?

The InChIKey is ILUQYNZWIBQBAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N5O3S/c1-22(2)9-8-19-17(24)18(25)20-16-14-10-27-11-15(14)21-23(16)12-4-6-13(26-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,19,24)(H,20,25)/p+1.

What are the key properties of 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium?

2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium has a molecular weight of 390.49 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7423919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).