5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

C107H130F3N25O12S8 — CID 159765511

About 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (PubChem CID 159765511) has the molecular formula C107H130F3N25O12S8 and a molecular weight of 2271.91 g/mol. Its IUPAC name is 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• PubChem CID: 159765511
• Molecular Formula: C107H130F3N25O12S8
• Molecular Weight: 2271.91 g/mol
• Exact Mass: 2269.80
• IUPAC Name: 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• SMILES: Cc1nc(C(=O)N2CCC(N(C)C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCN(C3CCCCC3)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)NC2CCN(C(C)C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C28H28F3N7O3S2.C28H36N6O3S2.C26H34N6O3S2.C25H32N6O3S2/c1-15(2)41-21-6-4-17(24(32)39)12-19(21)35-27-36-20(14-42-27)23-16(3)34-25(43-23)26(40)38-10-8-37(9-11-38)22-7-5-18(13-33-22)28(29,30)31;1-17(2)37-23-10-9-19(25(29)35)15-21(23)31-28-32-22(16-38-28)24-18(3)30-26(39-24)27(36)34-13-11-33(12-14-34)20-7-5-4-6-8-20;1-14(2)32-10-8-18(9-11-32)29-24(34)25-28-16(5)22(37-25)20-13-36-26(31-20)30-19-12-17(23(27)33)6-7-21(19)35-15(3)4;1-14(2)34-20-7-6-16(22(26)32)12-18(20)28-25-29-19(13-35-25)21-15(3)27-23(36-21)24(33)31-10-8-17(9-11-31)30(4)5/h4-7,12-15H,8-11H2,1-3H3,(H2,32,39)(H,35,36);9-10,15-17,20H,4-8,11-14H2,1-3H3,(H2,29,35)(H,31,32);6-7,12-15,18H,8-11H2,1-5H3,(H2,27,33)(H,29,34)(H,30,31);6-7,12-14,17H,8-11H2,1-5H3,(H2,26,32)(H,28,29)
• InChIKey: NFLFXHBMZKOSRX-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 476.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.91
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (CID 159765511) is 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is Cc1nc(C(=O)N2CCC(N(C)C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCN(C3CCCCC3)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)NC2CCN(C(C)C)CC2)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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The InChIKey is NFLFXHBMZKOSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O3S2.C28H36N6O3S2.C26H34N6O3S2.C25H32N6O3S2/c1-15(2)41-21-6-4-17(24(32)39)12-19(21)35-27-36-20(14-42-27)23-16(3)34-25(43-23)26(40)38-10-8-37(9-11-38)22-7-5-18(13-33-22)28(29,30)31;1-17(2)37-23-10-9-19(25(29)35)15-21(23)31-28-32-22(16-38-28)24-18(3)30-26(39-24)27(36)34-13-11-33(12-14-34)20-7-5-4-6-8-20;1-14(2)32-10-8-18(9-11-32)29-24(34)25-28-16(5)22(37-25)20-13-36-26(31-20)30-19-12-17(23(27)33)6-7-21(19)35-15(3)4;1-14(2)34-20-7-6-16(22(26)32)12-18(20)28-25-29-19(13-35-25)21-15(3)27-23(36-21)24(33)31-10-8-17(9-11-31)30(4)5/h4-7,12-15H,8-11H2,1-3H3,(H2,32,39)(H,35,36);9-10,15-17,20H,4-8,11-14H2,1-3H3,(H2,29,35)(H,31,32);6-7,12-15,18H,8-11H2,1-5H3,(H2,27,33)(H,29,34)(H,30,31);6-7,12-14,17H,8-11H2,1-5H3,(H2,26,32)(H,28,29).

What are the key properties of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide has a molecular weight of 2271.91 g/mol, XLogP of 20.05, 33 rotatable bonds, 9 hydrogen bond donors, and 37 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-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-2-carboxamide;3-[[4-[2-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[4-(dimethylamino)piperidine-1-carbonyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 159765511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).