4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C18H23N7S — CID 132765437

About 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 132765437) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
• PubChem CID: 132765437
• Molecular Formula: C18H23N7S
• Molecular Weight: 369.50 g/mol
• Exact Mass: 369.17
• IUPAC Name: 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
• SMILES: Cc1csc(Nc2nccnc2C2CCCN(Cc3nccn3C)C2)n1
• InChI: InChI=1S/C18H23N7S/c1-13-12-26-18(22-13)23-17-16(20-5-6-21-17)14-4-3-8-25(10-14)11-15-19-7-9-24(15)2/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3,(H,21,22,23)
• InChIKey: KZQQNSLNRPJISS-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.50
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The IUPAC name of 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 132765437) is 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1csc(Nc2nccnc2C2CCCN(Cc3nccn3C)C2)n1.

What is the InChIKey of 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The InChIKey is KZQQNSLNRPJISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c1-13-12-26-18(22-13)23-17-16(20-5-6-21-17)14-4-3-8-25(10-14)11-15-19-7-9-24(15)2/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3,(H,21,22,23).

What are the key properties of 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 369.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 132765437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).