N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C23H16Cl2N4O2S — CID 112803609

About N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 112803609) has the molecular formula C23H16Cl2N4O2S and a molecular weight of 483.38 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 112803609
• Molecular Formula: C23H16Cl2N4O2S
• Molecular Weight: 483.38 g/mol
• Exact Mass: 482.04
• IUPAC Name: N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1cnc2sccn2c1=O
• InChI: InChI=1S/C23H16Cl2N4O2S/c24-13-5-6-14(19(25)9-13)16(17-10-26-20-4-2-1-3-15(17)20)11-27-21(30)18-12-28-23-29(22(18)31)7-8-32-23/h1-10,12,16,26H,11H2,(H,27,30)
• InChIKey: HZLUNDKPEKDQQB-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.38
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 112803609) is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1cnc2sccn2c1=O.

What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is HZLUNDKPEKDQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O2S/c24-13-5-6-14(19(25)9-13)16(17-10-26-20-4-2-1-3-15(17)20)11-27-21(30)18-12-28-23-29(22(18)31)7-8-32-23/h1-10,12,16,26H,11H2,(H,27,30).

What are the key properties of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 483.38 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 112803609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).