N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one

C117H144N36O4S10 — CID 157062309

About N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one

N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one (PubChem CID 157062309) has the molecular formula C117H144N36O4S10 and a molecular weight of 2439.36 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one.

Molecular Properties

• Compound Name: N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one
• PubChem CID: 157062309
• Molecular Formula: C117H144N36O4S10
• Molecular Weight: 2439.36 g/mol
• Exact Mass: 2436.94
• IUPAC Name: N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one
• SMILES: CC(C)C(=O)Cc1ccc(Sc2nc(Nc3ncc(C(C)C)s3)nc(N3CCN(C)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3ncc(C(C)C)s3)nc(N3CCN(C)CC3)n2)cc1.CCc1cnc(Nc2nc(Sc3ccc(CC(=O)C(C)C)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)c4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(N)cc3)nc(N3CCN(C)CC3)n2)s1
• InChI: InChI=1S/C26H27N7OS2.C25H33N7OS2.2C24H31N7OS2.C18H22N8S2/c1-18-17-27-25(35-18)29-23-28-24(33-14-12-32(2)13-15-33)31-26(30-23)36-21-10-8-19(9-11-21)16-22(34)20-6-4-3-5-7-20;1-16(2)20(33)14-18-6-8-19(9-7-18)34-25-29-22(28-24-26-15-21(35-24)17(3)4)27-23(30-25)32-12-10-31(5)11-13-32;1-5-18-15-25-23(33-18)27-21-26-22(31-12-10-30(4)11-13-31)29-24(28-21)34-19-8-6-17(7-9-19)14-20(32)16(2)3;1-5-18(32)14-17-6-8-19(9-7-17)33-24-28-21(27-23-25-15-20(34-23)16(2)3)26-22(29-24)31-12-10-30(4)11-13-31;1-12-11-20-17(27-12)22-15-21-16(26-9-7-25(2)8-10-26)24-18(23-15)28-14-5-3-13(19)4-6-14/h3-11,17H,12-16H2,1-2H3,(H,27,28,29,30,31);6-9,15-17H,10-14H2,1-5H3,(H,26,27,28,29,30);2*6-9,15-16H,5,10-14H2,1-4H3,(H,25,26,27,28,29);3-6,11H,7-10,19H2,1-2H3,(H,20,21,22,23,24)
• InChIKey: ABLVRKALUSQHEU-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 444.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 40
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2439.36
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one?

The IUPAC name of N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one (CID 157062309) is N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one.

What is the SMILES notation for N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one?

The canonical SMILES for N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one is CC(C)C(=O)Cc1ccc(Sc2nc(Nc3ncc(C(C)C)s3)nc(N3CCN(C)CC3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(Nc3ncc(C(C)C)s3)nc(N3CCN(C)CC3)n2)cc1.CCc1cnc(Nc2nc(Sc3ccc(CC(=O)C(C)C)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)c4ccccc4)cc3)nc(N3CCN(C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(N)cc3)nc(N3CCN(C)CC3)n2)s1.

What is the InChIKey of N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one?

The InChIKey is ABLVRKALUSQHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7OS2.C25H33N7OS2.2C24H31N7OS2.C18H22N8S2/c1-18-17-27-25(35-18)29-23-28-24(33-14-12-32(2)13-15-33)31-26(30-23)36-21-10-8-19(9-11-21)16-22(34)20-6-4-3-5-7-20;1-16(2)20(33)14-18-6-8-19(9-7-18)34-25-29-22(28-24-26-15-21(35-24)17(3)4)27-23(30-25)32-12-10-31(5)11-13-32;1-5-18-15-25-23(33-18)27-21-26-22(31-12-10-30(4)11-13-31)29-24(28-21)34-19-8-6-17(7-9-19)14-20(32)16(2)3;1-5-18(32)14-17-6-8-19(9-7-17)33-24-28-21(27-23-25-15-20(34-23)16(2)3)26-22(29-24)31-12-10-30(4)11-13-31;1-12-11-20-17(27-12)22-15-21-16(26-9-7-25(2)8-10-26)24-18(23-15)28-14-5-3-13(19)4-6-14/h3-11,17H,12-16H2,1-2H3,(H,27,28,29,30,31);6-9,15-17H,10-14H2,1-5H3,(H,26,27,28,29,30);2*6-9,15-16H,5,10-14H2,1-4H3,(H,25,26,27,28,29);3-6,11H,7-10,19H2,1-2H3,(H,20,21,22,23,24).

What are the key properties of N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one?

N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one has a molecular weight of 2439.36 g/mol, XLogP of 21.36, 40 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-aminophenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1,3-thiazol-2-amine;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-3-methylbutan-2-one;3-methyl-1-[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]butan-2-one;2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone;1-[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]butan-2-one is sourced from PubChem (CID 157062309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).