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

C23H23ClN6O3S — CID 3180507

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

4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3180507) has the molecular formula C23H23ClN6O3S and a molecular weight of 499.00 g/mol. Its IUPAC name is 4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 3180507
• Molecular Formula: C23H23ClN6O3S
• Molecular Weight: 499.00 g/mol
• Exact Mass: 498.12
• IUPAC Name: 4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)NC2CCCC2)c2ccncc2)c1N
• InChI: InChI=1S/C23H23ClN6O3S/c24-14-5-7-16(8-6-14)30(23(33)20-17(25)18(21(26)31)29-34-20)19(13-9-11-27-12-10-13)22(32)28-15-3-1-2-4-15/h5-12,15,19H,1-4,25H2,(H2,26,31)(H,28,32)
• InChIKey: ULDCZECGFHUBPC-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 144.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.00
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide (CID 3180507) is 4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide.

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

The canonical SMILES for 4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide is NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)NC2CCCC2)c2ccncc2)c1N.

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

The InChIKey is ULDCZECGFHUBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S/c24-14-5-7-16(8-6-14)30(23(33)20-17(25)18(21(26)31)29-34-20)19(13-9-11-27-12-10-13)22(32)28-15-3-1-2-4-15/h5-12,15,19H,1-4,25H2,(H2,26,31)(H,28,32).

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

4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 499.00 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-(4-chlorophenyl)-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3180507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).