N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C17H23N3O2S2 — CID 134020410

About N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 134020410) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• PubChem CID: 134020410
• Molecular Formula: C17H23N3O2S2
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.12
• IUPAC Name: N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• SMILES: CC1CCCCC1N(C)C(=O)CSCc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C17H23N3O2S2/c1-12-5-3-4-6-14(12)19(2)16(22)11-23-10-13-9-15(21)20-7-8-24-17(20)18-13/h7-9,12,14H,3-6,10-11H2,1-2H3
• InChIKey: PCDOEZNPRRZTDL-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 54.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 134020410) is N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is CC1CCCCC1N(C)C(=O)CSCc1cc(=O)n2ccsc2n1.

What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The InChIKey is PCDOEZNPRRZTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-12-5-3-4-6-14(12)19(2)16(22)11-23-10-13-9-15(21)20-7-8-24-17(20)18-13/h7-9,12,14H,3-6,10-11H2,1-2H3.

What are the key properties of N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 134020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).