2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one

C62H64Cl4N18O7S9 — CID 158948185

About 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one

2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 158948185) has the molecular formula C62H64Cl4N18O7S9 and a molecular weight of 1603.73 g/mol. Its IUPAC name is 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one
• PubChem CID: 158948185
• Molecular Formula: C62H64Cl4N18O7S9
• Molecular Weight: 1603.73 g/mol
• Exact Mass: 1600.14
• IUPAC Name: 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one
• SMILES: CCn1ccnc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(=O)[nH]c(SCc2c(C)noc2C)n1.Cc1cc(=O)[nH]c(SCc2cc(Cl)sc2Cl)n1.Cc1cc(=O)[nH]c(SCc2cncs2)n1.Cc1cc(=O)[nH]c(SCc2sc(Cl)nc2Cl)n1.Cc1ccc(CSc2nc(C)cc(=O)[nH]2)cn1
• InChI: InChI=1S/C12H13N3OS.C11H14N4OS.C11H13N3O2S.C10H8Cl2N2OS2.C9H7Cl2N3OS2.C9H9N3OS2/c1-8-3-4-10(6-13-8)7-17-12-14-9(2)5-11(16)15-12;1-3-15-5-4-12-9(15)7-17-11-13-8(2)6-10(16)14-11;1-6-4-10(15)13-11(12-6)17-5-9-7(2)14-16-8(9)3;1-5-2-8(15)14-10(13-5)16-4-6-3-7(11)17-9(6)12;1-4-2-6(15)13-9(12-4)16-3-5-7(10)14-8(11)17-5;1-6-2-8(13)12-9(11-6)14-4-7-3-10-5-15-7/h3-6H,7H2,1-2H3,(H,14,15,16);4-6H,3,7H2,1-2H3,(H,13,14,16);4H,5H2,1-3H3,(H,12,13,15);2-3H,4H2,1H3,(H,13,14,15);2H,3H2,1H3,(H,12,13,15);2-3,5H,4H2,1H3,(H,11,12,13)
• InChIKey: JLBZEXVIJTXWQR-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 357.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1603.73
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one?

The IUPAC name of 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 158948185) is 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one?

The canonical SMILES for 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one is CCn1ccnc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(=O)[nH]c(SCc2c(C)noc2C)n1.Cc1cc(=O)[nH]c(SCc2cc(Cl)sc2Cl)n1.Cc1cc(=O)[nH]c(SCc2cncs2)n1.Cc1cc(=O)[nH]c(SCc2sc(Cl)nc2Cl)n1.Cc1ccc(CSc2nc(C)cc(=O)[nH]2)cn1.

What is the InChIKey of 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one?

The InChIKey is JLBZEXVIJTXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS.C11H14N4OS.C11H13N3O2S.C10H8Cl2N2OS2.C9H7Cl2N3OS2.C9H9N3OS2/c1-8-3-4-10(6-13-8)7-17-12-14-9(2)5-11(16)15-12;1-3-15-5-4-12-9(15)7-17-11-13-8(2)6-10(16)14-11;1-6-4-10(15)13-11(12-6)17-5-9-7(2)14-16-8(9)3;1-5-2-8(15)14-10(13-5)16-4-6-3-7(11)17-9(6)12;1-4-2-6(15)13-9(12-4)16-3-5-7(10)14-8(11)17-5;1-6-2-8(13)12-9(11-6)14-4-7-3-10-5-15-7/h3-6H,7H2,1-2H3,(H,14,15,16);4-6H,3,7H2,1-2H3,(H,13,14,16);4H,5H2,1-3H3,(H,12,13,15);2-3H,4H2,1H3,(H,13,14,15);2H,3H2,1H3,(H,12,13,15);2-3,5H,4H2,1H3,(H,11,12,13).

What are the key properties of 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one?

2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 1603.73 g/mol, XLogP of 14.34, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-dichloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,5-dichlorothiophen-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-(1,3-thiazol-5-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 158948185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).