N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide

C21H24N4O4S3 — CID 55543108

About N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55543108) has the molecular formula C21H24N4O4S3 and a molecular weight of 492.65 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 55543108
• Molecular Formula: C21H24N4O4S3
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.10
• IUPAC Name: N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C21H24N4O4S3/c1-3-23(4-2)32(28,29)17-5-6-18-15(11-17)7-8-24(18)20(27)14-30-13-16-12-19(26)25-9-10-31-21(25)22-16/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3
• InChIKey: BSHQHQYRIWBKOX-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 92.06 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 55543108) is N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1cc(=O)n2ccsc2n1.

What is the InChIKey of N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?

The InChIKey is BSHQHQYRIWBKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S3/c1-3-23(4-2)32(28,29)17-5-6-18-15(11-17)7-8-24(18)20(27)14-30-13-16-12-19(26)25-9-10-31-21(25)22-16/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3.

What are the key properties of N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?

N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 492.65 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55543108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).