5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide

C18H24N6O2S — CID 55933830

About 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide (PubChem CID 55933830) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
• PubChem CID: 55933830
• Molecular Formula: C18H24N6O2S
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.17
• IUPAC Name: 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(C(=O)NCC(=O)NCCN2CCN(c3ncccn3)CC2)s1
• InChI: InChI=1S/C18H24N6O2S/c1-14-3-4-15(27-14)17(26)22-13-16(25)19-7-8-23-9-11-24(12-10-23)18-20-5-2-6-21-18/h2-6H,7-13H2,1H3,(H,19,25)(H,22,26)
• InChIKey: JLKCEGTVCQUJFP-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.50
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide?

The IUPAC name of 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide (CID 55933830) is 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide?

The canonical SMILES for 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCCN2CCN(c3ncccn3)CC2)s1.

What is the InChIKey of 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide?

The InChIKey is JLKCEGTVCQUJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-14-3-4-15(27-14)17(26)22-13-16(25)19-7-8-23-9-11-24(12-10-23)18-20-5-2-6-21-18/h2-6H,7-13H2,1H3,(H,19,25)(H,22,26).

What are the key properties of 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide?

5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55933830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).