N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

C24H23N7O2S — CID 141468435

About N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 141468435) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
• PubChem CID: 141468435
• Molecular Formula: C24H23N7O2S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.16
• IUPAC Name: N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
• SMILES: CN1CCN(C(=O)c2cccc(NC(=O)c3cnsc3Nc3cnc4ccccc4n3)c2)CC1
• InChI: InChI=1S/C24H23N7O2S/c1-30-9-11-31(12-10-30)24(33)16-5-4-6-17(13-16)27-22(32)18-14-26-34-23(18)29-21-15-25-19-7-2-3-8-20(19)28-21/h2-8,13-15H,9-12H2,1H3,(H,27,32)(H,28,29)
• InChIKey: RGKJITYKGDFGNU-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 103.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

The IUPAC name of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (CID 141468435) is N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is CN1CCN(C(=O)c2cccc(NC(=O)c3cnsc3Nc3cnc4ccccc4n3)c2)CC1.

What is the InChIKey of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

The InChIKey is RGKJITYKGDFGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-30-9-11-31(12-10-30)24(33)16-5-4-6-17(13-16)27-22(32)18-14-26-34-23(18)29-21-15-25-19-7-2-3-8-20(19)28-21/h2-8,13-15H,9-12H2,1H3,(H,27,32)(H,28,29).

What are the key properties of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 141468435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).