5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

C22H22N6OS — CID 127249866

About 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (PubChem CID 127249866) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 127249866
• Molecular Formula: C22H22N6OS
• Molecular Weight: 418.53 g/mol
• Exact Mass: 418.16
• IUPAC Name: 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
• SMILES: Cc1nnc(Nc2cccc(C3CN(Cc4cccc5ncccc45)CCO3)n2)s1
• InChI: InChI=1S/C22H22N6OS/c1-15-26-27-22(30-15)25-21-9-3-8-19(24-21)20-14-28(11-12-29-20)13-16-5-2-7-18-17(16)6-4-10-23-18/h2-10,20H,11-14H2,1H3,(H,24,25,27)
• InChIKey: HITXKRKLVZTBSB-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.53
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (CID 127249866) is 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2cccc(C3CN(Cc4cccc5ncccc45)CCO3)n2)s1.

What is the InChIKey of 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is HITXKRKLVZTBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-15-26-27-22(30-15)25-21-9-3-8-19(24-21)20-14-28(11-12-29-20)13-16-5-2-7-18-17(16)6-4-10-23-18/h2-10,20H,11-14H2,1H3,(H,24,25,27).

What are the key properties of 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?

5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 418.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127249866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).