2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine

C71H75F3N18S9 — CID 159753158

About 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine

2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 159753158) has the molecular formula C71H75F3N18S9 and a molecular weight of 1526.10 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
• PubChem CID: 159753158
• Molecular Formula: C71H75F3N18S9
• Molecular Weight: 1526.10 g/mol
• Exact Mass: 1524.39
• IUPAC Name: 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
• SMILES: CCCc1sc(-c2cccc(F)c2)nc1CSc1nc(C)cc(N)n1.CCCc1sc(-c2ccnc(F)c2)nc1CSc1nc(C)cc(N)n1.CCCc1sc(C2Cc3ccccc3S2)nc1CSc1nc(C)cc(N)n1.CCc1sc(-c2ccnc(F)c2)nc1CSc1nc(C)cc(N)n1
• InChI: InChI=1S/C20H22N4S3.C18H19FN4S2.C17H18FN5S2.C16H16FN5S2/c1-3-6-16-14(11-25-20-22-12(2)9-18(21)24-20)23-19(27-16)17-10-13-7-4-5-8-15(13)26-17;1-3-5-15-14(10-24-18-21-11(2)8-16(20)23-18)22-17(25-15)12-6-4-7-13(19)9-12;1-3-4-13-12(9-24-17-21-10(2)7-15(19)23-17)22-16(25-13)11-5-6-20-14(18)8-11;1-3-12-11(8-23-16-20-9(2)6-14(18)22-16)21-15(24-12)10-4-5-19-13(17)7-10/h4-5,7-9,17H,3,6,10-11H2,1-2H3,(H2,21,22,24);4,6-9H,3,5,10H2,1-2H3,(H2,20,21,23);5-8H,3-4,9H2,1-2H3,(H2,19,21,23);4-7H,3,8H2,1-2H3,(H2,18,20,22)
• InChIKey: NDXHMYIKRUNHTG-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 284.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1526.10
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine (CID 159753158) is 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine.

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

The canonical SMILES for 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine is CCCc1sc(-c2cccc(F)c2)nc1CSc1nc(C)cc(N)n1.CCCc1sc(-c2ccnc(F)c2)nc1CSc1nc(C)cc(N)n1.CCCc1sc(C2Cc3ccccc3S2)nc1CSc1nc(C)cc(N)n1.CCc1sc(-c2ccnc(F)c2)nc1CSc1nc(C)cc(N)n1.

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

The InChIKey is NDXHMYIKRUNHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S3.C18H19FN4S2.C17H18FN5S2.C16H16FN5S2/c1-3-6-16-14(11-25-20-22-12(2)9-18(21)24-20)23-19(27-16)17-10-13-7-4-5-8-15(13)26-17;1-3-5-15-14(10-24-18-21-11(2)8-16(20)23-18)22-17(25-15)12-6-4-7-13(19)9-12;1-3-4-13-12(9-24-17-21-10(2)7-15(19)23-17)22-16(25-13)11-5-6-20-14(18)8-11;1-3-12-11(8-23-16-20-9(2)6-14(18)22-16)21-15(24-12)10-4-5-19-13(17)7-10/h4-5,7-9,17H,3,6,10-11H2,1-2H3,(H2,21,22,24);4,6-9H,3,5,10H2,1-2H3,(H2,20,21,23);5-8H,3-4,9H2,1-2H3,(H2,19,21,23);4-7H,3,8H2,1-2H3,(H2,18,20,22).

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

2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 1526.10 g/mol, XLogP of 18.48, 23 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,3-dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[5-ethyl-2-(2-fluoro-4-pyridinyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 159753158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).