1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea

C₂₀H₃₂N₆O₂S — CID 155737703

About 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea

1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea (PubChem CID 155737703) has the molecular formula C₂₀H₃₂N₆O₂S and a molecular weight of 420.58 g/mol. Its IUPAC name is 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea.

Molecular Properties

• Compound Name: 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea
• PubChem CID: 155737703
• Molecular Formula: C₂₀H₃₂N₆O₂S
• Molecular Weight: 420.58 g/mol
• Exact Mass: 420.23
• IUPAC Name: 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea
• SMILES: CCc1oc(C(C)C)cc1NC(=O)NSN(c1cnn(C)c1)C1CCCN(C)C1
• InChI: InChI=1S/C20H32N6O2S/c1-6-18-17(10-19(28-18)14(2)3)22-20(27)23-29-26(16-11-21-25(5)13-16)15-8-7-9-24(4)12-15/h10-11,13-15H,6-9,12H2,1-5H3,(H2,22,23,27)
• InChIKey: GYAOKJDUQPSRNU-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 78.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.58
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea?

The IUPAC name of 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea (CID 155737703) is 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea.

What is the SMILES notation for 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea?

The canonical SMILES for 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea is CCc1oc(C(C)C)cc1NC(=O)NSN(c1cnn(C)c1)C1CCCN(C)C1.

What is the InChIKey of 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea?

The InChIKey is GYAOKJDUQPSRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2S/c1-6-18-17(10-19(28-18)14(2)3)22-20(27)23-29-26(16-11-21-25(5)13-16)15-8-7-9-24(4)12-15/h10-11,13-15H,6-9,12H2,1-5H3,(H2,22,23,27).

What are the key properties of 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea?

1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea has a molecular weight of 420.58 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea is sourced from PubChem (CID 155737703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155737703 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.