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

C18H25N5OS — CID 110256842

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

3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 110256842) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one
• PubChem CID: 110256842
• Molecular Formula: C18H25N5OS
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.18
• IUPAC Name: 3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one
• SMILES: Cc1csc(Nc2nccnc2C2CCCN(C(=O)CC(C)C)C2)n1
• InChI: InChI=1S/C18H25N5OS/c1-12(2)9-15(24)23-8-4-5-14(10-23)16-17(20-7-6-19-16)22-18-21-13(3)11-25-18/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,21,22)
• InChIKey: VWRZOIXVUQXPTJ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one (CID 110256842) is 3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one.

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

The canonical SMILES for 3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one is Cc1csc(Nc2nccnc2C2CCCN(C(=O)CC(C)C)C2)n1.

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

The InChIKey is VWRZOIXVUQXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12(2)9-15(24)23-8-4-5-14(10-23)16-17(20-7-6-19-16)22-18-21-13(3)11-25-18/h6-7,11-12,14H,4-5,8-10H2,1-3H3,(H,20,21,22).

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

3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 359.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110256842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).