4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

C22H28N6O4S — CID 23731629

About 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 23731629) has the molecular formula C22H28N6O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 23731629
• Molecular Formula: C22H28N6O4S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.19
• IUPAC Name: 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
• SMILES: NC(=O)c1nsc(C(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)c2ccncc2)c1N
• InChI: InChI=1S/C22H28N6O4S/c23-16-17(20(24)29)27-33-19(16)22(31)28(12-15-6-3-11-32-15)18(13-7-9-25-10-8-13)21(30)26-14-4-1-2-5-14/h7-10,14-15,18H,1-6,11-12,23H2,(H2,24,29)(H,26,30)
• InChIKey: KUCPSKNEESZEGH-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 153.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (CID 23731629) is 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is NC(=O)c1nsc(C(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)c2ccncc2)c1N.

What is the InChIKey of 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is KUCPSKNEESZEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S/c23-16-17(20(24)29)27-33-19(16)22(31)28(12-15-6-3-11-32-15)18(13-7-9-25-10-8-13)21(30)26-14-4-1-2-5-14/h7-10,14-15,18H,1-6,11-12,23H2,(H2,24,29)(H,26,30).

What are the key properties of 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 472.57 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 23731629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).