3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole

C126H139F3N26O17S11 — CID 159153372

About 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole

3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole (PubChem CID 159153372) has the molecular formula C126H139F3N26O17S11 and a molecular weight of 2699.39 g/mol. Its IUPAC name is 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole
• PubChem CID: 159153372
• Molecular Formula: C126H139F3N26O17S11
• Molecular Weight: 2699.39 g/mol
• Exact Mass: 2696.77
• IUPAC Name: 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole
• SMILES: CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N3CCNCC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(N3CCN(C4CC4)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(NCC3CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(NCCCn3ccnc3)nc2)cs1.COc1ccc(C)cc1Nc1nc(-c2cccnc2)cs1.CS(=O)(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3cccnc3)cs2)c1
• InChI: InChI=1S/C25H31N5O3S2.C24H28N4O4S2.C23H27N7O3S2.C21H25N5O3S2.C17H13F3N2O3S2.C16H15N3OS/c1-17(2)33-23-7-6-21(35(26,31)32)13-19(23)14-25-28-22(16-34-25)18-3-8-24(27-15-18)30-11-9-29(10-12-30)20-4-5-20;1-16(2)32-22-7-5-19(34(3,30)31)12-18(22)13-23-27-21(15-33-23)17-4-6-20(26-14-17)24(29)28-10-8-25-9-11-28;1-16(2)33-21-6-5-18(35(24,31)32)12-19(21)28-23-29-20(14-34-23)17-4-7-22(27-13-17)26-8-3-10-30-11-9-25-15-30;1-13(2)29-19-7-6-16(31(22,27)28)9-17(19)25-21-26-18(12-30-21)15-5-8-20(24-11-15)23-10-14-3-4-14;1-27(23,24)13-4-5-15(25-17(18,19)20)12(7-13)8-16-22-14(10-26-16)11-3-2-6-21-9-11;1-11-5-6-15(20-2)13(8-11)18-16-19-14(10-21-16)12-4-3-7-17-9-12/h3,6-8,13,15-17,20H,4-5,9-12,14H2,1-2H3,(H2,26,31,32);4-7,12,14-16,25H,8-11,13H2,1-3H3;4-7,9,11-16H,3,8,10H2,1-2H3,(H,26,27)(H,28,29)(H2,24,31,32);5-9,11-14H,3-4,10H2,1-2H3,(H,23,24)(H,25,26)(H2,22,27,28);2-7,9-10H,8H2,1H3;3-10H,1-2H3,(H,18,19)
• InChIKey: KJOXEMRDHXJXGN-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 575.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 44
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2699.39
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole?

The IUPAC name of 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole (CID 159153372) is 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole.

What is the SMILES notation for 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole?

The canonical SMILES for 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole is CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N3CCNCC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Cc1nc(-c2ccc(N3CCN(C4CC4)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(NCC3CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(NCCCn3ccnc3)nc2)cs1.COc1ccc(C)cc1Nc1nc(-c2cccnc2)cs1.CS(=O)(=O)c1ccc(OC(F)(F)F)c(Cc2nc(-c3cccnc3)cs2)c1.

What is the InChIKey of 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole?

The InChIKey is KJOXEMRDHXJXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S2.C24H28N4O4S2.C23H27N7O3S2.C21H25N5O3S2.C17H13F3N2O3S2.C16H15N3OS/c1-17(2)33-23-7-6-21(35(26,31)32)13-19(23)14-25-28-22(16-34-25)18-3-8-24(27-15-18)30-11-9-29(10-12-30)20-4-5-20;1-16(2)32-22-7-5-19(34(3,30)31)12-18(22)13-23-27-21(15-33-23)17-4-6-20(26-14-17)24(29)28-10-8-25-9-11-28;1-16(2)33-21-6-5-18(35(24,31)32)12-19(21)28-23-29-20(14-34-23)17-4-7-22(27-13-17)26-8-3-10-30-11-9-25-15-30;1-13(2)29-19-7-6-16(31(22,27)28)9-17(19)25-21-26-18(12-30-21)15-5-8-20(24-11-15)23-10-14-3-4-14;1-27(23,24)13-4-5-15(25-17(18,19)20)12(7-13)8-16-22-14(10-26-16)11-3-2-6-21-9-11;1-11-5-6-15(20-2)13(8-11)18-16-19-14(10-21-16)12-4-3-7-17-9-12/h3,6-8,13,15-17,20H,4-5,9-12,14H2,1-2H3,(H2,26,31,32);4-7,12,14-16,25H,8-11,13H2,1-3H3;4-7,9,11-16H,3,8,10H2,1-2H3,(H,26,27)(H,28,29)(H2,24,31,32);5-9,11-14H,3-4,10H2,1-2H3,(H,23,24)(H,25,26)(H2,22,27,28);2-7,9-10H,8H2,1H3;3-10H,1-2H3,(H,18,19).

What are the key properties of 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole?

3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 2699.39 g/mol, XLogP of 23.20, 44 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[6-(cyclopropylmethylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3-imidazol-1-ylpropylamino)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-(2-methoxy-5-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-piperazin-1-ylmethanone;2-[[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 159153372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).