N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C19H20N4O2S — CID 42478334

About N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 42478334) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
• PubChem CID: 42478334
• Molecular Formula: C19H20N4O2S
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.13
• IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-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)NCCc1c[nH]c3ccccc13)CS2
• InChI: InChI=1S/C19H20N4O2S/c1-12-9-22-19-23(18(12)25)14(11-26-19)8-17(24)20-7-6-13-10-21-16-5-3-2-4-15(13)16/h2-5,9-10,14,21H,6-8,11H2,1H3,(H,20,24)/t14-/m0/s1
• InChIKey: YCNDUOVCRWYXJG-AWEZNQCLSA-N
• XLogP: 2.43
• TPSA: 79.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 42478334) is N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

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

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-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)NCCc1c[nH]c3ccccc13)CS2.

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

The InChIKey is YCNDUOVCRWYXJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-9-22-19-23(18(12)25)14(11-26-19)8-17(24)20-7-6-13-10-21-16-5-3-2-4-15(13)16/h2-5,9-10,14,21H,6-8,11H2,1H3,(H,20,24)/t14-/m0/s1.

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

N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 42478334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).