N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C16H22N6O2S — CID 122253425

About N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 122253425) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122253425
• Molecular Formula: C16H22N6O2S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.15
• IUPAC Name: N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• SMILES: COc1nc(CNC(=O)c2sc(C)nc2C)nc(N2CCCCC2)n1
• InChI: InChI=1S/C16H22N6O2S/c1-10-13(25-11(2)18-10)14(23)17-9-12-19-15(21-16(20-12)24-3)22-7-5-4-6-8-22/h4-9H2,1-3H3,(H,17,23)
• InChIKey: XCYSNNYESIRNOG-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 122253425) is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1nc(CNC(=O)c2sc(C)nc2C)nc(N2CCCCC2)n1.

What is the InChIKey of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The InChIKey is XCYSNNYESIRNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-10-13(25-11(2)18-10)14(23)17-9-12-19-15(21-16(20-12)24-3)22-7-5-4-6-8-22/h4-9H2,1-3H3,(H,17,23).

What are the key properties of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122253425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).