[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C21H22N4OS — CID 95819263

About [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 95819263) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• PubChem CID: 95819263
• Molecular Formula: C21H22N4OS
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.15
• IUPAC Name: [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• SMILES: Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3scnc3C)C2)c1
• InChI: InChI=1S/C21H22N4OS/c1-14-5-3-6-16(11-14)18-19(23-9-8-22-18)17-7-4-10-25(12-17)21(26)20-15(2)24-13-27-20/h3,5-6,8-9,11,13,17H,4,7,10,12H2,1-2H3/t17-/m1/s1
• InChIKey: ZSFGORWQGRAMJD-QGZVFWFLSA-N
• XLogP: 4.24
• TPSA: 58.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?

The IUPAC name of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 95819263) is [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?

The canonical SMILES for [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3scnc3C)C2)c1.

What is the InChIKey of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?

The InChIKey is ZSFGORWQGRAMJD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-14-5-3-6-16(11-14)18-19(23-9-8-22-18)17-7-4-10-25(12-17)21(26)20-15(2)24-13-27-20/h3,5-6,8-9,11,13,17H,4,7,10,12H2,1-2H3/t17-/m1/s1.

What are the key properties of [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?

[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 378.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95819263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).