3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one

C17H23N5O2S — CID 110256857

About 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one

3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 110256857) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 110256857
• Molecular Formula: C17H23N5O2S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.16
• IUPAC Name: 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
• SMILES: COCCC(=O)N1CCCC(c2nccnc2Nc2nc(C)cs2)C1
• InChI: InChI=1S/C17H23N5O2S/c1-12-11-25-17(20-12)21-16-15(18-6-7-19-16)13-4-3-8-22(10-13)14(23)5-9-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,19,20,21)
• InChIKey: XUTQXBAMAGTBHG-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 110256857) is 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCCC(c2nccnc2Nc2nc(C)cs2)C1.

What is the InChIKey of 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is XUTQXBAMAGTBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-11-25-17(20-12)21-16-15(18-6-7-19-16)13-4-3-8-22(10-13)14(23)5-9-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,19,20,21).

What are the key properties of 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?

3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 361.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110256857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).