5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine

C20H23N5O2S — CID 165154495

About 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine

5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine (PubChem CID 165154495) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine
• PubChem CID: 165154495
• Molecular Formula: C20H23N5O2S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.16
• IUPAC Name: 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine
• SMILES: COc1nc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)cs1
• InChI: InChI=1S/C20H23N5O2S/c1-12-6-13(7-14-9-25(2)5-4-16(12)14)17-8-22-18(21)19(24-17)27-10-15-11-28-20(23-15)26-3/h6-8,11H,4-5,9-10H2,1-3H3,(H2,21,22)
• InChIKey: WMCYXXVSMBMBGT-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 86.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine?

The IUPAC name of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine (CID 165154495) is 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine.

What is the SMILES notation for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine?

The canonical SMILES for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine is COc1nc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)cs1.

What is the InChIKey of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine?

The InChIKey is WMCYXXVSMBMBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-12-6-13(7-14-9-25(2)5-4-16(12)14)17-8-22-18(21)19(24-17)27-10-15-11-28-20(23-15)26-3/h6-8,11H,4-5,9-10H2,1-3H3,(H2,21,22).

What are the key properties of 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine?

5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine has a molecular weight of 397.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 165154495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).