5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one

C24H17ClN6O4S2 — CID 118959705

About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 118959705) has the molecular formula C24H17ClN6O4S2 and a molecular weight of 553.03 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one
• PubChem CID: 118959705
• Molecular Formula: C24H17ClN6O4S2
• Molecular Weight: 553.03 g/mol
• Exact Mass: 552.04
• IUPAC Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one
• SMILES: C=Cc1cc(=O)n(CC(=O)c2ncco2)cc1-c1cc(NCc2ccc(Cl)s2)n(C(=O)c2ccsn2)n1
• InChI: InChI=1S/C24H17ClN6O4S2/c1-2-14-9-22(33)30(13-19(32)23-26-6-7-35-23)12-16(14)18-10-21(27-11-15-3-4-20(25)37-15)31(28-18)24(34)17-5-8-36-29-17/h2-10,12,27H,1,11,13H2
• InChIKey: DDGLIUJIECSSEU-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 124.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.03
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one?

The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one (CID 118959705) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one.

What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one?

The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one is C=Cc1cc(=O)n(CC(=O)c2ncco2)cc1-c1cc(NCc2ccc(Cl)s2)n(C(=O)c2ccsn2)n1.

What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one?

The InChIKey is DDGLIUJIECSSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O4S2/c1-2-14-9-22(33)30(13-19(32)23-26-6-7-35-23)12-16(14)18-10-21(27-11-15-3-4-20(25)37-15)31(28-18)24(34)17-5-8-36-29-17/h2-10,12,27H,1,11,13H2.

What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one?

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 553.03 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-ethenyl-1-[2-(1,3-oxazol-2-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 118959705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).