3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol

C27H24N6O3S — CID 163265419

About 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol

3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol (PubChem CID 163265419) has the molecular formula C27H24N6O3S and a molecular weight of 512.60 g/mol. Its IUPAC name is 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol
• PubChem CID: 163265419
• Molecular Formula: C27H24N6O3S
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.16
• IUPAC Name: 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol
• SMILES: Oc1cccc(-c2cc(CN3CCOCC3)cc(Nc3ncc(-c4nnc(-c5ccccc5)o4)s3)n2)c1
• InChI: InChI=1S/C27H24N6O3S/c34-21-8-4-7-20(15-21)22-13-18(17-33-9-11-35-12-10-33)14-24(29-22)30-27-28-16-23(37-27)26-32-31-25(36-26)19-5-2-1-3-6-19/h1-8,13-16,34H,9-12,17H2,(H,28,29,30)
• InChIKey: BJJUKEWDXSKUMR-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 109.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.60
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol?

The IUPAC name of 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol (CID 163265419) is 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol.

What is the SMILES notation for 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol?

The canonical SMILES for 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol is Oc1cccc(-c2cc(CN3CCOCC3)cc(Nc3ncc(-c4nnc(-c5ccccc5)o4)s3)n2)c1.

What is the InChIKey of 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol?

The InChIKey is BJJUKEWDXSKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3S/c34-21-8-4-7-20(15-21)22-13-18(17-33-9-11-35-12-10-33)14-24(29-22)30-27-28-16-23(37-27)26-32-31-25(36-26)19-5-2-1-3-6-19/h1-8,13-16,34H,9-12,17H2,(H,28,29,30).

What are the key properties of 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol?

3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol has a molecular weight of 512.60 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol is sourced from PubChem (CID 163265419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).