N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C14H20N6O3S2 — CID 17402124

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 17402124) has the molecular formula C14H20N6O3S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 17402124
• Molecular Formula: C14H20N6O3S2
• Molecular Weight: 384.49 g/mol
• Exact Mass: 384.10
• IUPAC Name: N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: CCNc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1
• InChI: InChI=1S/C14H20N6O3S2/c1-2-15-11-17-18-13(25-11)24-8-9(21)19-20-10(22)14(16-12(20)23)6-4-3-5-7-14/h2-8H2,1H3,(H,15,17)(H,16,23)(H,19,21)
• InChIKey: WMCILBKHGXNLTJ-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 116.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.49
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 17402124) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCNc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1.

What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is WMCILBKHGXNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S2/c1-2-15-11-17-18-13(25-11)24-8-9(21)19-20-10(22)14(16-12(20)23)6-4-3-5-7-14/h2-8H2,1H3,(H,15,17)(H,16,23)(H,19,21).

What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 384.49 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 17402124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).