2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C18H18N4O2S2 — CID 135669322

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135669322) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 135669322
• Molecular Formula: C18H18N4O2S2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.09
• IUPAC Name: 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: Cc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(=O)[nH]3)s2)c1
• InChI: InChI=1S/C18H18N4O2S2/c1-11-4-3-5-13(6-11)8-14-9-19-17(26-14)22-16(24)10-25-18-20-12(2)7-15(23)21-18/h3-7,9H,8,10H2,1-2H3,(H,19,22,24)(H,20,21,23)
• InChIKey: YFVRJQGFXOBFKA-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 135669322) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(=O)[nH]3)s2)c1.

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

The InChIKey is YFVRJQGFXOBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-4-3-5-13(6-11)8-14-9-19-17(26-14)22-16(24)10-25-18-20-12(2)7-15(23)21-18/h3-7,9H,8,10H2,1-2H3,(H,19,22,24)(H,20,21,23).

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

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135669322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).