2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine

C67H63F7N16S8 — CID 162115489

About 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine

2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 162115489) has the molecular formula C67H63F7N16S8 and a molecular weight of 1481.87 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
• PubChem CID: 162115489
• Molecular Formula: C67H63F7N16S8
• Molecular Weight: 1481.87 g/mol
• Exact Mass: 1480.31
• IUPAC Name: 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
• SMILES: CCCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(C)cc(N)n1.CCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(C)cc(N)n1.Cc1cc(N)nc(SCc2nc(-c3cc(F)cc(F)c3)sc2C)n1.Cc1cc(N)nc(SCc2nc(-c3ccc(F)cc3)sc2C)n1
• InChI: InChI=1S/C18H18F2N4S2.C17H16F2N4S2.C16H14F2N4S2.C16H15FN4S2/c1-3-4-15-14(9-25-18-22-10(2)5-16(21)24-18)23-17(26-15)11-6-12(19)8-13(20)7-11;1-3-14-13(8-24-17-21-9(2)4-15(20)23-17)22-16(25-14)10-5-11(18)7-12(19)6-10;1-8-3-14(19)22-16(20-8)23-7-13-9(2)24-15(21-13)10-4-11(17)6-12(18)5-10;1-9-7-14(18)21-16(19-9)22-8-13-10(2)23-15(20-13)11-3-5-12(17)6-4-11/h5-8H,3-4,9H2,1-2H3,(H2,21,22,24);4-7H,3,8H2,1-2H3,(H2,20,21,23);3-6H,7H2,1-2H3,(H2,19,20,22);3-7H,8H2,1-2H3,(H2,18,19,21)
• InChIKey: ZGSARZSPPNZDCO-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 258.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.87
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?

The IUPAC name of 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine (CID 162115489) is 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine.

What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?

The canonical SMILES for 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine is CCCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(C)cc(N)n1.CCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(C)cc(N)n1.Cc1cc(N)nc(SCc2nc(-c3cc(F)cc(F)c3)sc2C)n1.Cc1cc(N)nc(SCc2nc(-c3ccc(F)cc3)sc2C)n1.

What is the InChIKey of 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?

The InChIKey is ZGSARZSPPNZDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4S2.C17H16F2N4S2.C16H14F2N4S2.C16H15FN4S2/c1-3-4-15-14(9-25-18-22-10(2)5-16(21)24-18)23-17(26-15)11-6-12(19)8-13(20)7-11;1-3-14-13(8-24-17-21-9(2)4-15(20)23-17)22-16(25-14)10-5-11(18)7-12(19)6-10;1-8-3-14(19)22-16(20-8)23-7-13-9(2)24-15(21-13)10-4-11(17)6-12(18)5-10;1-9-7-14(18)21-16(19-9)22-8-13-10(2)23-15(20-13)11-3-5-12(17)6-4-11/h5-8H,3-4,9H2,1-2H3,(H2,21,22,24);4-7H,3,8H2,1-2H3,(H2,20,21,23);3-6H,7H2,1-2H3,(H2,19,20,22);3-7H,8H2,1-2H3,(H2,18,19,21).

What are the key properties of 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?

2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 1481.87 g/mol, XLogP of 18.24, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(3,5-difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3,5-difluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 162115489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).