1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one

C11H15N5O2S2 — CID 18091953

About 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one

1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 18091953) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
• PubChem CID: 18091953
• Molecular Formula: C11H15N5O2S2
• Molecular Weight: 313.41 g/mol
• Exact Mass: 313.07
• IUPAC Name: 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
• SMILES: C=CCNc1nnc(SC(C)C(=O)N2CCNC2=O)s1
• InChI: InChI=1S/C11H15N5O2S2/c1-3-4-12-9-14-15-11(20-9)19-7(2)8(17)16-6-5-13-10(16)18/h3,7H,1,4-6H2,2H3,(H,12,14)(H,13,18)
• InChIKey: XSKZNDVCPQIQGN-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.41
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
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 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

The IUPAC name of 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one (CID 18091953) is 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one.

What is the SMILES notation for 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

The canonical SMILES for 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one is C=CCNc1nnc(SC(C)C(=O)N2CCNC2=O)s1.

What is the InChIKey of 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

The InChIKey is XSKZNDVCPQIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-3-4-12-9-14-15-11(20-9)19-7(2)8(17)16-6-5-13-10(16)18/h3,7H,1,4-6H2,2H3,(H,12,14)(H,13,18).

What are the key properties of 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 313.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 18091953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).