2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

C71H66Cl5N21O6S7 — CID 158313597

About 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 158313597) has the molecular formula C71H66Cl5N21O6S7 and a molecular weight of 1711.18 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
• PubChem CID: 158313597
• Molecular Formula: C71H66Cl5N21O6S7
• Molecular Weight: 1711.18 g/mol
• Exact Mass: 1707.20
• IUPAC Name: 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
• SMILES: Cc1cc(=O)[nH]c(SCc2c(Cl)ccnc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)nc3sccn23)n1.Cc1cc(=O)[nH]c(SCc2cccnc2C)n1.Cc1cc(=O)[nH]c(SCc2ccnc(Cl)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2ccnn2C)n1.Cc1cc(=O)[nH]c(SCc2cncc(-c3cccnc3)c2)n1
• InChI: InChI=1S/C16H14N4OS.C12H13N3OS.2C11H9Cl2N3OS.C11H9ClN4OS2.C10H12N4OS/c1-11-5-15(21)20-16(19-11)22-10-12-6-14(9-18-7-12)13-3-2-4-17-8-13;1-8-6-11(16)15-12(14-8)17-7-10-4-3-5-13-9(10)2;1-6-4-9(17)16-11(15-6)18-5-7-8(12)2-3-14-10(7)13;1-6-4-8(17)16-11(15-6)18-5-7-2-3-14-10(13)9(7)12;1-6-4-8(17)14-10(13-6)19-5-7-9(12)15-11-16(7)2-3-18-11;1-7-5-9(15)13-10(12-7)16-6-8-3-4-11-14(8)2/h2-9H,10H2,1H3,(H,19,20,21);3-6H,7H2,1-2H3,(H,14,15,16);2*2-4H,5H2,1H3,(H,15,16,17);2-4H,5H2,1H3,(H,13,14,17);3-5H,6H2,1-2H3,(H,12,13,15)
• InChIKey: GNZBQZNEPJLNHL-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 374.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1711.18
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

The IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (CID 158313597) is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

The canonical SMILES for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCc2c(Cl)ccnc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)nc3sccn23)n1.Cc1cc(=O)[nH]c(SCc2cccnc2C)n1.Cc1cc(=O)[nH]c(SCc2ccnc(Cl)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2ccnn2C)n1.Cc1cc(=O)[nH]c(SCc2cncc(-c3cccnc3)c2)n1.

What is the InChIKey of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

The InChIKey is GNZBQZNEPJLNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS.C12H13N3OS.2C11H9Cl2N3OS.C11H9ClN4OS2.C10H12N4OS/c1-11-5-15(21)20-16(19-11)22-10-12-6-14(9-18-7-12)13-3-2-4-17-8-13;1-8-6-11(16)15-12(14-8)17-7-10-4-3-5-13-9(10)2;1-6-4-9(17)16-11(15-6)18-5-7-8(12)2-3-14-10(7)13;1-6-4-8(17)16-11(15-6)18-5-7-2-3-14-10(13)9(7)12;1-6-4-8(17)14-10(13-6)19-5-7-9(12)15-11-16(7)2-3-18-11;1-7-5-9(15)13-10(12-7)16-6-8-3-4-11-14(8)2/h2-9H,10H2,1H3,(H,19,20,21);3-6H,7H2,1-2H3,(H,14,15,16);2*2-4H,5H2,1H3,(H,15,16,17);2-4H,5H2,1H3,(H,13,14,17);3-5H,6H2,1-2H3,(H,12,13,15).

What are the key properties of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 1711.18 g/mol, XLogP of 14.88, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 158313597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).