3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

C119H133N19O7S5 — CID 159705670

About 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (PubChem CID 159705670) has the molecular formula C119H133N19O7S5 and a molecular weight of 2101.83 g/mol. Its IUPAC name is 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• PubChem CID: 159705670
• Molecular Formula: C119H133N19O7S5
• Molecular Weight: 2101.83 g/mol
• Exact Mass: 2099.92
• IUPAC Name: 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(C3=CCCCC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(C3=CCN(C)CC3)cc2)cs1.CCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(C(C)C)CC3)cc2)cs1.CCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(C)CC3)cc2)cs1.CCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(CC)CC3)cc2)cs1
• InChI: InChI=1S/C25H28N4O2S.C25H27N3O2S.C24H28N4OS.C23H26N4OS.C22H24N4OS/c1-16(2)31-23-9-8-20(24(26)30)14-21(23)27-25-28-22(15-32-25)19-6-4-17(5-7-19)18-10-12-29(3)13-11-18;1-16(2)30-23-13-12-20(24(26)29)14-21(23)27-25-28-22(15-31-25)19-10-8-18(9-11-19)17-6-4-3-5-7-17;1-4-29-23-9-12-25-15-21(23)26-24-27-22(16-30-24)20-7-5-18(6-8-20)19-10-13-28(14-11-19)17(2)3;1-3-27-13-10-18(11-14-27)17-5-7-19(8-6-17)21-16-29-23(26-21)25-20-15-24-12-9-22(20)28-4-2;1-3-27-21-8-11-23-14-19(21)24-22-25-20(15-28-22)18-6-4-16(5-7-18)17-9-12-26(2)13-10-17/h4-10,14-16H,11-13H2,1-3H3,(H2,26,30)(H,27,28);6,8-16H,3-5,7H2,1-2H3,(H2,26,29)(H,27,28);5-10,12,15-17H,4,11,13-14H2,1-3H3,(H,26,27);5-10,12,15-16H,3-4,11,13-14H2,1-2H3,(H,25,26);4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,24,25)
• InChIKey: MYEGPVFRORMARM-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 308.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2101.83
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The IUPAC name of 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (CID 159705670) is 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The canonical SMILES for 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(C3=CCCCC3)cc2)cs1.CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(C3=CCN(C)CC3)cc2)cs1.CCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(C(C)C)CC3)cc2)cs1.CCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(C)CC3)cc2)cs1.CCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(CC)CC3)cc2)cs1.

What is the InChIKey of 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The InChIKey is MYEGPVFRORMARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S.C25H27N3O2S.C24H28N4OS.C23H26N4OS.C22H24N4OS/c1-16(2)31-23-9-8-20(24(26)30)14-21(23)27-25-28-22(15-32-25)19-6-4-17(5-7-19)18-10-12-29(3)13-11-18;1-16(2)30-23-13-12-20(24(26)29)14-21(23)27-25-28-22(15-31-25)19-10-8-18(9-11-19)17-6-4-3-5-7-17;1-4-29-23-9-12-25-15-21(23)26-24-27-22(16-30-24)20-7-5-18(6-8-20)19-10-13-28(14-11-19)17(2)3;1-3-27-13-10-18(11-14-27)17-5-7-19(8-6-17)21-16-29-23(26-21)25-20-15-24-12-9-22(20)28-4-2;1-3-27-21-8-11-23-14-19(21)24-22-25-20(15-28-22)18-6-4-16(5-7-18)17-9-12-26(2)13-10-17/h4-10,14-16H,11-13H2,1-3H3,(H2,26,30)(H,27,28);6,8-16H,3-5,7H2,1-2H3,(H2,26,29)(H,27,28);5-10,12,15-17H,4,11,13-14H2,1-3H3,(H,26,27);5-10,12,15-16H,3-4,11,13-14H2,1-2H3,(H,25,26);4-9,11,14-15H,3,10,12-13H2,1-2H3,(H,24,25).

What are the key properties of 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide has a molecular weight of 2101.83 g/mol, XLogP of 27.92, 34 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-(cyclohexen-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine;3-[[4-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 159705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).