1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

C113H131N31O5S10 — CID 158043054

About 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 158043054) has the molecular formula C113H131N31O5S10 and a molecular weight of 2324.17 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• PubChem CID: 158043054
• Molecular Formula: C113H131N31O5S10
• Molecular Weight: 2324.17 g/mol
• Exact Mass: 2321.82
• IUPAC Name: 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• SMILES: CC(C)c1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1nc(Nc2ncc(C)s2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.CCc1nc(Nc2ncc(CC)s2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1
• InChI: InChI=1S/C25H31N7OS2.C24H29N7OS2.C23H27N7OS2.C21H23N5OS2.C20H21N5OS2/c1-16(2)21-15-26-24(35-21)28-22-27-23(32-12-10-31(3)11-13-32)30-25(29-22)34-19-8-4-17(5-9-19)14-20(33)18-6-7-18;1-3-18-15-25-23(33-18)27-21-26-22(31-12-10-30(2)11-13-31)29-24(28-21)34-19-8-4-16(5-9-19)14-20(32)17-6-7-17;1-15-14-24-22(32-15)26-20-25-21(30-11-9-29(2)10-12-30)28-23(27-20)33-18-7-3-16(4-8-18)13-19(31)17-5-6-17;1-3-15-12-22-20(28-15)25-19-23-18(4-2)24-21(26-19)29-16-9-5-13(6-10-16)11-17(27)14-7-8-14;1-3-17-22-18(24-19-21-11-12(2)27-19)25-20(23-17)28-15-8-4-13(5-9-15)10-16(26)14-6-7-14/h4-5,8-9,15-16,18H,6-7,10-14H2,1-3H3,(H,26,27,28,29,30);4-5,8-9,15,17H,3,6-7,10-14H2,1-2H3,(H,25,26,27,28,29);3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,24,25,26,27,28);5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,22,23,24,25,26);4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,21,22,23,24,25)
• InChIKey: FIOXBOXVIPGDJQ-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 422.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 46
• Rotatable Bonds: 43
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2324.17
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The IUPAC name of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 158043054) is 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The canonical SMILES for 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CC(C)c1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1nc(Nc2ncc(C)s2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.CCc1nc(Nc2ncc(CC)s2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)s1.

What is the InChIKey of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The InChIKey is FIOXBOXVIPGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7OS2.C24H29N7OS2.C23H27N7OS2.C21H23N5OS2.C20H21N5OS2/c1-16(2)21-15-26-24(35-21)28-22-27-23(32-12-10-31(3)11-13-32)30-25(29-22)34-19-8-4-17(5-9-19)14-20(33)18-6-7-18;1-3-18-15-25-23(33-18)27-21-26-22(31-12-10-30(2)11-13-31)29-24(28-21)34-19-8-4-16(5-9-19)14-20(32)17-6-7-17;1-15-14-24-22(32-15)26-20-25-21(30-11-9-29(2)10-12-30)28-23(27-20)33-18-7-3-16(4-8-18)13-19(31)17-5-6-17;1-3-15-12-22-20(28-15)25-19-23-18(4-2)24-21(26-19)29-16-9-5-13(6-10-16)11-17(27)14-7-8-14;1-3-17-22-18(24-19-21-11-12(2)27-19)25-20(23-17)28-15-8-4-13(5-9-15)10-16(26)14-6-7-14/h4-5,8-9,15-16,18H,6-7,10-14H2,1-3H3,(H,26,27,28,29,30);4-5,8-9,15,17H,3,6-7,10-14H2,1-2H3,(H,25,26,27,28,29);3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,24,25,26,27,28);5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,22,23,24,25,26);4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,21,22,23,24,25).

What are the key properties of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 2324.17 g/mol, XLogP of 21.97, 43 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 158043054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).