1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one

C14H15N5O2S2 — CID 9221235

About 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 9221235) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
• PubChem CID: 9221235
• Molecular Formula: C14H15N5O2S2
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.07
• IUPAC Name: 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
• SMILES: Cc1cccc(Nc2nnc(SCC(=O)N3CCNC3=O)s2)c1
• InChI: InChI=1S/C14H15N5O2S2/c1-9-3-2-4-10(7-9)16-12-17-18-14(23-12)22-8-11(20)19-6-5-15-13(19)21/h2-4,7H,5-6,8H2,1H3,(H,15,21)(H,16,17)
• InChIKey: JILGVTWANPALRY-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?

The IUPAC name of 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 9221235) is 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.

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

The canonical SMILES for 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is Cc1cccc(Nc2nnc(SCC(=O)N3CCNC3=O)s2)c1.

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

The InChIKey is JILGVTWANPALRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-9-3-2-4-10(7-9)16-12-17-18-14(23-12)22-8-11(20)19-6-5-15-13(19)21/h2-4,7H,5-6,8H2,1H3,(H,15,21)(H,16,17).

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

1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9221235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).