N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C24H25N3O2S — CID 42478302

About N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 42478302) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
• PubChem CID: 42478302
• Molecular Formula: C24H25N3O2S
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.17
• IUPAC Name: N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
• SMILES: Cc1cnc2n(c1=O)[C@H](CC(=O)NCCC(c1ccccc1)c1ccccc1)CS2
• InChI: InChI=1S/C24H25N3O2S/c1-17-15-26-24-27(23(17)29)20(16-30-24)14-22(28)25-13-12-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,15,20-21H,12-14,16H2,1H3,(H,25,28)/t20-/m1/s1
• InChIKey: HLHWWXODEIXMDI-HXUWFJFHSA-N
• XLogP: 3.93
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The IUPAC name of N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 42478302) is N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The canonical SMILES for N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is Cc1cnc2n(c1=O)[C@H](CC(=O)NCCC(c1ccccc1)c1ccccc1)CS2.

What is the InChIKey of N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

The InChIKey is HLHWWXODEIXMDI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-15-26-24-27(23(17)29)20(16-30-24)14-22(28)25-13-12-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,15,20-21H,12-14,16H2,1H3,(H,25,28)/t20-/m1/s1.

What are the key properties of N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?

N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 42478302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).