3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

C108H118N28O10S10 — CID 159658572

About 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (PubChem CID 159658572) has the molecular formula C108H118N28O10S10 and a molecular weight of 2288.99 g/mol. Its IUPAC name is 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• PubChem CID: 159658572
• Molecular Formula: C108H118N28O10S10
• Molecular Weight: 2288.99 g/mol
• Exact Mass: 2286.68
• IUPAC Name: 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• SMILES: CCN(CC)c1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N3CCN(C)CC3)nc2C)cs1.Cc1nc(Nc2ccccc2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(Nc2ccccn2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(Nc2ccncc2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C23H23N5O2S2.2C22H22N6O2S2.C21H27N5O2S2.C20H24N6O2S2/c1-13(2)30-19-10-9-15(21(24)29)11-17(19)27-22-28-18(12-31-22)20-14(3)25-23(32-20)26-16-7-5-4-6-8-16;1-12(2)30-18-5-4-14(20(23)29)10-16(18)27-21-28-17(11-31-21)19-13(3)25-22(32-19)26-15-6-8-24-9-7-15;1-12(2)30-17-8-7-14(20(23)29)10-15(17)26-21-27-16(11-31-21)19-13(3)25-22(32-19)28-18-6-4-5-9-24-18;1-6-26(7-2)21-23-13(5)18(30-21)16-11-29-20(25-16)24-15-10-14(19(22)27)8-9-17(15)28-12(3)4;1-12-17(30-20(22-12)26-8-6-25(2)7-9-26)15-11-29-19(24-15)23-14-10-13(18(21)27)4-5-16(14)28-3/h4-13H,1-3H3,(H2,24,29)(H,25,26)(H,27,28);4-12H,1-3H3,(H2,23,29)(H,27,28)(H,24,25,26);4-12H,1-3H3,(H2,23,29)(H,26,27)(H,24,25,28);8-12H,6-7H2,1-5H3,(H2,22,27)(H,24,25);4-5,10-11H,6-9H2,1-3H3,(H2,21,27)(H,23,24)
• InChIKey: MSMLGPBUAYOUSG-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 522.24 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 39
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.99
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The IUPAC name of 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (CID 159658572) is 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The canonical SMILES for 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is CCN(CC)c1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N3CCN(C)CC3)nc2C)cs1.Cc1nc(Nc2ccccc2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(Nc2ccccn2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(Nc2ccncc2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.

What is the InChIKey of 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The InChIKey is MSMLGPBUAYOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S2.2C22H22N6O2S2.C21H27N5O2S2.C20H24N6O2S2/c1-13(2)30-19-10-9-15(21(24)29)11-17(19)27-22-28-18(12-31-22)20-14(3)25-23(32-20)26-16-7-5-4-6-8-16;1-12(2)30-18-5-4-14(20(23)29)10-16(18)27-21-28-17(11-31-21)19-13(3)25-22(32-19)26-15-6-8-24-9-7-15;1-12(2)30-17-8-7-14(20(23)29)10-15(17)26-21-27-16(11-31-21)19-13(3)25-22(32-19)28-18-6-4-5-9-24-18;1-6-26(7-2)21-23-13(5)18(30-21)16-11-29-20(25-16)24-15-10-14(19(22)27)8-9-17(15)28-12(3)4;1-12-17(30-20(22-12)26-8-6-25(2)7-9-26)15-11-29-19(24-15)23-14-10-13(18(21)27)4-5-16(14)28-3/h4-13H,1-3H3,(H2,24,29)(H,25,26)(H,27,28);4-12H,1-3H3,(H2,23,29)(H,27,28)(H,24,25,26);4-12H,1-3H3,(H2,23,29)(H,26,27)(H,24,25,28);8-12H,6-7H2,1-5H3,(H2,22,27)(H,24,25);4-5,10-11H,6-9H2,1-3H3,(H2,21,27)(H,23,24).

What are the key properties of 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide has a molecular weight of 2288.99 g/mol, XLogP of 24.86, 39 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-anilino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;4-methoxy-3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzamide;3-[[4-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 159658572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).