2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C18H29N5O2S — CID 24573708

About 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 24573708) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
• PubChem CID: 24573708
• Molecular Formula: C18H29N5O2S
• Molecular Weight: 379.53 g/mol
• Exact Mass: 379.20
• IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
• SMILES: C=CCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nnc1C1CC1
• InChI: InChI=1S/C18H29N5O2S/c1-4-7-23-16(14-5-6-14)20-21-17(23)26-12-15(24)19-13-18(2,3)22-8-10-25-11-9-22/h4,14H,1,5-13H2,2-3H3,(H,19,24)
• InChIKey: FRXISSBFQRNQNL-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.53
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?

The IUPAC name of 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 24573708) is 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

What is the SMILES notation for 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?

The canonical SMILES for 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is C=CCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nnc1C1CC1.

What is the InChIKey of 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?

The InChIKey is FRXISSBFQRNQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-4-7-23-16(14-5-6-14)20-21-17(23)26-12-15(24)19-13-18(2,3)22-8-10-25-11-9-22/h4,14H,1,5-13H2,2-3H3,(H,19,24).

What are the key properties of 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?

2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 24573708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).