2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide

C18H26N4O2S2 — CID 17423577

About 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 17423577) has the molecular formula C18H26N4O2S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
• PubChem CID: 17423577
• Molecular Formula: C18H26N4O2S2
• Molecular Weight: 394.57 g/mol
• Exact Mass: 394.15
• IUPAC Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
• SMILES: COc1ccc(CNc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1
• InChI: InChI=1S/C18H26N4O2S2/c1-12(2)22(13(3)4)16(23)11-25-18-21-20-17(26-18)19-10-14-6-8-15(24-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3,(H,19,20)
• InChIKey: ZEWMPFXTGJFIKT-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.57
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?

The IUPAC name of 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 17423577) is 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide.

What is the SMILES notation for 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?

The canonical SMILES for 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide is COc1ccc(CNc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1.

What is the InChIKey of 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?

The InChIKey is ZEWMPFXTGJFIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S2/c1-12(2)22(13(3)4)16(23)11-25-18-21-20-17(26-18)19-10-14-6-8-15(24-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3,(H,19,20).

What are the key properties of 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide?

2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 394.57 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 17423577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).