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

C12H16N6O2S — CID 122253028

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 122253028) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122253028
• Molecular Formula: C12H16N6O2S
• Molecular Weight: 308.37 g/mol
• Exact Mass: 308.11
• IUPAC Name: N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: COc1nc(CNC(=O)c2scnc2C)nc(N(C)C)n1
• InChI: InChI=1S/C12H16N6O2S/c1-7-9(21-6-14-7)10(19)13-5-8-15-11(18(2)3)17-12(16-8)20-4/h6H,5H2,1-4H3,(H,13,19)
• InChIKey: NOMWZULJYRGGOO-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.37
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 122253028) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1nc(CNC(=O)c2scnc2C)nc(N(C)C)n1.

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

The InChIKey is NOMWZULJYRGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-7-9(21-6-14-7)10(19)13-5-8-15-11(18(2)3)17-12(16-8)20-4/h6H,5H2,1-4H3,(H,13,19).

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

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122253028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).