N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide

C24H29N5O3S — CID 55935033

About N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide

N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide (PubChem CID 55935033) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide
• PubChem CID: 55935033
• Molecular Formula: C24H29N5O3S
• Molecular Weight: 467.60 g/mol
• Exact Mass: 467.20
• IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide
• SMILES: CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
• InChI: InChI=1S/C24H29N5O3S/c1-17(2)22(26-20(30)14-18-6-4-3-5-7-18)23(32)28-10-8-27(9-11-28)16-19-15-21(31)29-12-13-33-24(29)25-19/h3-7,12-13,15,17,22H,8-11,14,16H2,1-2H3,(H,26,30)/t22-/m0/s1
• InChIKey: RPARAPSLGILILB-QFIPXVFZSA-N
• XLogP: 1.78
• TPSA: 87.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.60
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide?

The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide (CID 55935033) is N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide is CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.

What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide?

The InChIKey is RPARAPSLGILILB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-17(2)22(26-20(30)14-18-6-4-3-5-7-18)23(32)28-10-8-27(9-11-28)16-19-15-21(31)29-12-13-33-24(29)25-19/h3-7,12-13,15,17,22H,8-11,14,16H2,1-2H3,(H,26,30)/t22-/m0/s1.

What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide?

N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide has a molecular weight of 467.60 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 55935033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).