2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C19H24N4O3S2 — CID 78309853

About 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78309853) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 78309853
• Molecular Formula: C19H24N4O3S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.13
• IUPAC Name: 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CCC1C(=O)NC(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)NC1C
• InChI: InChI=1S/C19H24N4O3S2/c1-4-14-11(2)20-18(23-17(14)25)28-10-16(24)22-19-21-15(9-27-19)12-5-7-13(26-3)8-6-12/h5-9,11,14,18,20H,4,10H2,1-3H3,(H,23,25)(H,21,22,24)
• InChIKey: LJIMTKZWSJZCDT-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 78309853) is 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCC1C(=O)NC(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)NC1C.

What is the InChIKey of 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is LJIMTKZWSJZCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-4-14-11(2)20-18(23-17(14)25)28-10-16(24)22-19-21-15(9-27-19)12-5-7-13(26-3)8-6-12/h5-9,11,14,18,20H,4,10H2,1-3H3,(H,23,25)(H,21,22,24).

What are the key properties of 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?

2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78309853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).