N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H25N5O2S — CID 25330357

About N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 25330357) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
• PubChem CID: 25330357
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
• SMILES: c1ccc(-c2cn3nc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)sc3n2)cc1
• InChI: InChI=1S/C20H25N5O2S/c1-2-4-15(5-3-1)17-13-25-20(22-17)28-19(23-25)21-12-18(16-6-9-27-14-16)24-7-10-26-11-8-24/h1-5,13,16,18H,6-12,14H2,(H,21,23)/t16-,18-/m0/s1
• InChIKey: YTZWQLVSPMVZQE-WMZOPIPTSA-N
• XLogP: 2.61
• TPSA: 63.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?

The IUPAC name of N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 25330357) is N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

What is the SMILES notation for N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?

The canonical SMILES for N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(-c2cn3nc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)sc3n2)cc1.

What is the InChIKey of N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?

The InChIKey is YTZWQLVSPMVZQE-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-2-4-15(5-3-1)17-13-25-20(22-17)28-19(23-25)21-12-18(16-6-9-27-14-16)24-7-10-26-11-8-24/h1-5,13,16,18H,6-12,14H2,(H,21,23)/t16-,18-/m0/s1.

What are the key properties of N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?

N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 399.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 25330357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).