5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine

C25H26N4OS — CID 59416740

About 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine

5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 59416740) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 59416740
• Molecular Formula: C25H26N4OS
• Molecular Weight: 430.58 g/mol
• Exact Mass: 430.18
• IUPAC Name: 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine
• SMILES: CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)s2)cc1
• InChI: InChI=1S/C25H26N4OS/c1-25(2,3)22(17-7-9-19(10-8-17)23-28-29-24(26)31-23)18-11-13-21(14-12-18)30-16-20-6-4-5-15-27-20/h4-15,22H,16H2,1-3H3,(H2,26,29)
• InChIKey: PMWZNLALUXLADA-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 73.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.58
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine (CID 59416740) is 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine is CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)s2)cc1.

What is the InChIKey of 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is PMWZNLALUXLADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-25(2,3)22(17-7-9-19(10-8-17)23-28-29-24(26)31-23)18-11-13-21(14-12-18)30-16-20-6-4-5-15-27-20/h4-15,22H,16H2,1-3H3,(H2,26,29).

What are the key properties of 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine?

5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 430.58 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 59416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).