5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

C110H117F3N26O15S10 — CID 159000485

About 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (PubChem CID 159000485) has the molecular formula C110H117F3N26O15S10 and a molecular weight of 2420.98 g/mol. Its IUPAC name is 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• PubChem CID: 159000485
• Molecular Formula: C110H117F3N26O15S10
• Molecular Weight: 2420.98 g/mol
• Exact Mass: 2418.64
• IUPAC Name: 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• SMILES: CCOC(=O)c1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.Cc1nc(-c2ccncc2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCN(C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)O)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(Nc2ncc(C(F)(F)F)cc2N2CCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C27H28F3N7O2S2.C23H28N6O3S2.C22H21N5O2S2.C20H22N4O4S2.C18H18N4O4S2/c1-14(2)39-21-7-6-16(23(31)38)10-18(21)34-25-35-19(13-40-25)22-15(3)33-26(41-22)36-24-20(37-8-4-5-9-37)11-17(12-32-24)27(28,29)30;1-13(2)32-18-6-5-15(20(24)30)11-16(18)26-23-27-17(12-33-23)19-14(3)25-21(34-19)22(31)29-9-7-28(4)8-10-29;1-12(2)29-18-5-4-15(20(23)28)10-16(18)26-22-27-17(11-30-22)19-13(3)25-21(31-19)14-6-8-24-9-7-14;1-5-27-19(26)18-22-11(4)16(30-18)14-9-29-20(24-14)23-13-8-12(17(21)25)6-7-15(13)28-10(2)3;1-8(2)26-13-5-4-10(15(19)23)6-11(13)21-18-22-12(7-27-18)14-9(3)20-16(28-14)17(24)25/h6-7,10-14H,4-5,8-9H2,1-3H3,(H2,31,38)(H,34,35)(H,32,33,36);5-6,11-13H,7-10H2,1-4H3,(H2,24,30)(H,26,27);4-12H,1-3H3,(H2,23,28)(H,26,27);6-10H,5H2,1-4H3,(H2,21,25)(H,23,24);4-8H,1-3H3,(H2,19,23)(H,21,22)(H,24,25)
• InChIKey: JRGYUPBPAJHIBS-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 578.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 38
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2420.98
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The IUPAC name of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (CID 159000485) is 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The canonical SMILES for 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is CCOC(=O)c1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)C)n2)s1.Cc1nc(-c2ccncc2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCN(C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)O)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(Nc2ncc(C(F)(F)F)cc2N2CCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.

What is the InChIKey of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The InChIKey is JRGYUPBPAJHIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O2S2.C23H28N6O3S2.C22H21N5O2S2.C20H22N4O4S2.C18H18N4O4S2/c1-14(2)39-21-7-6-16(23(31)38)10-18(21)34-25-35-19(13-40-25)22-15(3)33-26(41-22)36-24-20(37-8-4-5-9-37)11-17(12-32-24)27(28,29)30;1-13(2)32-18-6-5-15(20(24)30)11-16(18)26-23-27-17(12-33-23)19-14(3)25-21(34-19)22(31)29-9-7-28(4)8-10-29;1-12(2)29-18-5-4-15(20(23)28)10-16(18)26-22-27-17(11-30-22)19-13(3)25-21(31-19)14-6-8-24-9-7-14;1-5-27-19(26)18-22-11(4)16(30-18)14-9-29-20(24-14)23-13-8-12(17(21)25)6-7-15(13)28-10(2)3;1-8(2)26-13-5-4-10(15(19)23)6-11(13)21-18-22-12(7-27-18)14-9(3)20-16(28-14)17(24)25/h6-7,10-14H,4-5,8-9H2,1-3H3,(H2,31,38)(H,34,35)(H,32,33,36);5-6,11-13H,7-10H2,1-4H3,(H2,24,30)(H,26,27);4-12H,1-3H3,(H2,23,28)(H,26,27);6-10H,5H2,1-4H3,(H2,21,25)(H,23,24);4-8H,1-3H3,(H2,19,23)(H,21,22)(H,24,25).

What are the key properties of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide has a molecular weight of 2420.98 g/mol, XLogP of 24.11, 38 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylic acid;ethyl 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole-2-carboxylate;3-[[4-[4-methyl-2-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 159000485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).