N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C18H24N4O2S2 — CID 51303451

About N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 51303451) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 51303451
• Molecular Formula: C18H24N4O2S2
• Molecular Weight: 392.55 g/mol
• Exact Mass: 392.13
• IUPAC Name: N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• SMILES: COc1ccc(Nc2nnc(SCCC(=O)NC3CCCCC3)s2)cc1
• InChI: InChI=1S/C18H24N4O2S2/c1-24-15-9-7-14(8-10-15)20-17-21-22-18(26-17)25-12-11-16(23)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,21)
• InChIKey: QLEGGHGLCKAVBP-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 51303451) is N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is COc1ccc(Nc2nnc(SCCC(=O)NC3CCCCC3)s2)cc1.

What is the InChIKey of N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is QLEGGHGLCKAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-24-15-9-7-14(8-10-15)20-17-21-22-18(26-17)25-12-11-16(23)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,21).

What are the key properties of N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 392.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 51303451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).