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

C108H121N29O5S10 — CID 157112673

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

1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one (PubChem CID 157112673) has the molecular formula C108H121N29O5S10 and a molecular weight of 2226.02 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one
• PubChem CID: 157112673
• Molecular Formula: C108H121N29O5S10
• Molecular Weight: 2226.02 g/mol
• Exact Mass: 2223.73
• IUPAC Name: 1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one
• SMILES: CC(=O)Cc1ccc(Sc2nc(Nc3ncc(C)s3)nc(N3CCN(C)CC3)n2)cc1.CCc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(C3CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(CC(C)=O)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1nc(Nc2ncc(C(C)C)s2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(C3CC3)n2)s1
• InChI: InChI=1S/C22H27N7OS2.C22H23N5OS2.C22H25N5OS2.C21H25N7OS2.C21H21N5OS2/c1-4-17-14-23-21(31-17)25-19-24-20(29-11-9-28(3)10-12-29)27-22(26-19)32-18-7-5-16(6-8-18)13-15(2)30;1-2-16-12-23-21(29-16)26-20-24-19(15-7-8-15)25-22(27-20)30-17-9-3-13(4-10-17)11-18(28)14-5-6-14;1-4-19-24-20(26-21-23-12-18(30-21)13(2)3)27-22(25-19)29-16-9-5-14(6-10-16)11-17(28)15-7-8-15;1-14(29)12-16-4-6-17(7-5-16)31-21-25-18(24-20-22-13-15(2)30-20)23-19(26-21)28-10-8-27(3)9-11-28;1-12-11-22-20(28-12)25-19-23-18(15-6-7-15)24-21(26-19)29-16-8-2-13(3-9-16)10-17(27)14-4-5-14/h5-8,14H,4,9-13H2,1-3H3,(H,23,24,25,26,27);3-4,9-10,12,14-15H,2,5-8,11H2,1H3,(H,23,24,25,26,27);5-6,9-10,12-13,15H,4,7-8,11H2,1-3H3,(H,23,24,25,26,27);4-7,13H,8-12H2,1-3H3,(H,22,23,24,25,26);2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,22,23,24,25,26)
• InChIKey: AHAOLQWZMGCDAU-UHFFFAOYSA-N
• XLogP: 22.63
• TPSA: 416.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 41
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2226.02
LogP ≤ 5	22.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

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

The IUPAC name of 1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one (CID 157112673) is 1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one.

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

The canonical SMILES for 1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one is CC(=O)Cc1ccc(Sc2nc(Nc3ncc(C)s3)nc(N3CCN(C)CC3)n2)cc1.CCc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(C3CC3)n2)s1.CCc1cnc(Nc2nc(Sc3ccc(CC(C)=O)cc3)nc(N3CCN(C)CC3)n2)s1.CCc1nc(Nc2ncc(C(C)C)s2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(C3CC3)n2)s1.

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

The InChIKey is AHAOLQWZMGCDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS2.C22H23N5OS2.C22H25N5OS2.C21H25N7OS2.C21H21N5OS2/c1-4-17-14-23-21(31-17)25-19-24-20(29-11-9-28(3)10-12-29)27-22(26-19)32-18-7-5-16(6-8-18)13-15(2)30;1-2-16-12-23-21(29-16)26-20-24-19(15-7-8-15)25-22(27-20)30-17-9-3-13(4-10-17)11-18(28)14-5-6-14;1-4-19-24-20(26-21-23-12-18(30-21)13(2)3)27-22(25-19)29-16-9-5-14(6-10-16)11-17(28)15-7-8-15;1-14(29)12-16-4-6-17(7-5-16)31-21-25-18(24-20-22-13-15(2)30-20)23-19(26-21)28-10-8-27(3)9-11-28;1-12-11-22-20(28-12)25-19-23-18(15-6-7-15)24-21(26-19)29-16-8-2-13(3-9-16)10-17(27)14-4-5-14/h5-8,14H,4,9-13H2,1-3H3,(H,23,24,25,26,27);3-4,9-10,12,14-15H,2,5-8,11H2,1H3,(H,23,24,25,26,27);5-6,9-10,12-13,15H,4,7-8,11H2,1-3H3,(H,23,24,25,26,27);4-7,13H,8-12H2,1-3H3,(H,22,23,24,25,26);2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,22,23,24,25,26).

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

1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one has a molecular weight of 2226.02 g/mol, XLogP of 22.63, 41 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-ethyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-cyclopropyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-[4-[[4-[(5-ethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one;1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]propan-2-one is sourced from PubChem (CID 157112673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).