1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol

C18H26N4OS2 — CID 60585197

About 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 60585197) has the molecular formula C18H26N4OS2 and a molecular weight of 378.57 g/mol. Its IUPAC name is 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol
• PubChem CID: 60585197
• Molecular Formula: C18H26N4OS2
• Molecular Weight: 378.57 g/mol
• Exact Mass: 378.15
• IUPAC Name: 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol
• SMILES: Cc1cccc(Nc2nnc(SCC(O)CN3CCC(C)CC3)s2)c1
• InChI: InChI=1S/C18H26N4OS2/c1-13-6-8-22(9-7-13)11-16(23)12-24-18-21-20-17(25-18)19-15-5-3-4-14(2)10-15/h3-5,10,13,16,23H,6-9,11-12H2,1-2H3,(H,19,20)
• InChIKey: VIUMQTUSPZZKJW-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 61.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.57
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol?

The IUPAC name of 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 60585197) is 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

What is the SMILES notation for 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol?

The canonical SMILES for 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol is Cc1cccc(Nc2nnc(SCC(O)CN3CCC(C)CC3)s2)c1.

What is the InChIKey of 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol?

The InChIKey is VIUMQTUSPZZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS2/c1-13-6-8-22(9-7-13)11-16(23)12-24-18-21-20-17(25-18)19-15-5-3-4-14(2)10-15/h3-5,10,13,16,23H,6-9,11-12H2,1-2H3,(H,19,20).

What are the key properties of 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol?

1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 378.57 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 60585197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).