2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C20H24N6O3S2 — CID 42973086

About 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 42973086) has the molecular formula C20H24N6O3S2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• PubChem CID: 42973086
• Molecular Formula: C20H24N6O3S2
• Molecular Weight: 460.59 g/mol
• Exact Mass: 460.14
• IUPAC Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• SMILES: CC1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(NC3CCCCC3)s2)C1=O
• InChI: InChI=1S/C20H24N6O3S2/c1-20(13-8-4-2-5-9-13)16(28)26(18(29)22-20)25-15(27)12-30-19-24-23-17(31-19)21-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,21,23)(H,22,29)(H,25,27)
• InChIKey: GXFPJRBSFQOUFZ-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 116.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.59
LogP ≤ 5	2.87
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 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 42973086) is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

What is the SMILES notation for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The canonical SMILES for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CC1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(NC3CCCCC3)s2)C1=O.

What is the InChIKey of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The InChIKey is GXFPJRBSFQOUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S2/c1-20(13-8-4-2-5-9-13)16(28)26(18(29)22-20)25-15(27)12-30-19-24-23-17(31-19)21-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,21,23)(H,22,29)(H,25,27).

What are the key properties of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 460.59 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42973086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).