1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C20H18Cl3N5OS — CID 46588106

About 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46588106) has the molecular formula C20H18Cl3N5OS and a molecular weight of 482.82 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 46588106
• Molecular Formula: C20H18Cl3N5OS
• Molecular Weight: 482.82 g/mol
• Exact Mass: 481.03
• IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CCN(c2ccc(Cl)nn2)CC1
• InChI: InChI=1S/C20H18Cl3N5OS/c21-15-3-1-2-13(18(15)23)10-14-11-24-20(30-14)25-19(29)12-6-8-28(9-7-12)17-5-4-16(22)26-27-17/h1-5,11-12H,6-10H2,(H,24,25,29)
• InChIKey: FPVLAOFAWUBGTR-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.82
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46588106) is 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CCN(c2ccc(Cl)nn2)CC1.

What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is FPVLAOFAWUBGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N5OS/c21-15-3-1-2-13(18(15)23)10-14-11-24-20(30-14)25-19(29)12-6-8-28(9-7-12)17-5-4-16(22)26-27-17/h1-5,11-12H,6-10H2,(H,24,25,29).

What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 482.82 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46588106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).