6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one

C22H15ClN6O4S3 — CID 118959499

About 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one

6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one (PubChem CID 118959499) has the molecular formula C22H15ClN6O4S3 and a molecular weight of 559.05 g/mol. Its IUPAC name is 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one
• PubChem CID: 118959499
• Molecular Formula: C22H15ClN6O4S3
• Molecular Weight: 559.05 g/mol
• Exact Mass: 558.00
• IUPAC Name: 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one
• SMILES: O=C(Cn1c(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccsn3)n2)cc(O)cc1=O)c1cnsc1
• InChI: InChI=1S/C22H15ClN6O4S3/c23-19-2-1-14(36-19)9-24-20-7-16(26-29(20)22(33)15-3-4-34-27-15)17-5-13(30)6-21(32)28(17)10-18(31)12-8-25-35-11-12/h1-8,11,24,30H,9-10H2
• InChIKey: BBTKEVFKGHCXCM-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 132.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.05
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one?

The IUPAC name of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one (CID 118959499) is 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one.

What is the SMILES notation for 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one?

The canonical SMILES for 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one is O=C(Cn1c(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccsn3)n2)cc(O)cc1=O)c1cnsc1.

What is the InChIKey of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one?

The InChIKey is BBTKEVFKGHCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6O4S3/c23-19-2-1-14(36-19)9-24-20-7-16(26-29(20)22(33)15-3-4-34-27-15)17-5-13(30)6-21(32)28(17)10-18(31)12-8-25-35-11-12/h1-8,11,24,30H,9-10H2.

What are the key properties of 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one?

6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one has a molecular weight of 559.05 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-thiazole-3-carbonyl)pyrazol-3-yl]-4-hydroxy-1-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 118959499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).