5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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

C99H117F3N24O12S8 — CID 160783978

About 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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 160783978) has the molecular formula C99H117F3N24O12S8 and a molecular weight of 2148.71 g/mol. Its IUPAC name is 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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: 160783978
• Molecular Formula: C99H117F3N24O12S8
• Molecular Weight: 2148.71 g/mol
• Exact Mass: 2146.70
• IUPAC Name: 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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)N(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N(C)CCN(C)C)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
• InChI: InChI=1S/C28H28F3N7O3S2.C28H36N6O3S2.C23H30N6O3S2.C20H23N5O3S2/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;1-13(2)32-18-8-7-15(20(24)30)11-16(18)26-23-27-17(12-33-23)19-14(3)25-21(34-19)22(31)29(6)10-9-28(4)5;1-10(2)28-15-7-6-12(17(21)26)8-13(15)23-20-24-14(9-29-20)16-11(3)22-18(30-16)19(27)25(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);7-8,11-13H,9-10H2,1-6H3,(H2,24,30)(H,26,27);6-10H,1-5H3,(H2,21,26)(H,23,24)
• InChIKey: SAYPRLGRYWZCHX-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 464.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.71
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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 160783978) is 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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)N(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N(C)CCN(C)C)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.

What is the InChIKey of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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 SAYPRLGRYWZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O3S2.C28H36N6O3S2.C23H30N6O3S2.C20H23N5O3S2/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;1-13(2)32-18-8-7-15(20(24)30)11-16(18)26-23-27-17(12-33-23)19-14(3)25-21(34-19)22(31)29(6)10-9-28(4)5;1-10(2)28-15-7-6-12(17(21)26)8-13(15)23-20-24-14(9-29-20)16-11(3)22-18(30-16)19(27)25(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);7-8,11-13H,9-10H2,1-6H3,(H2,24,30)(H,26,27);6-10H,1-5H3,(H2,21,26)(H,23,24).

What are the key properties of 5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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 2148.71 g/mol, XLogP of 18.62, 33 rotatable bonds, 8 hydrogen bond donors, and 36 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]-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-2-carboxamide;5-[2-(5-carbamoyl-2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-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-[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 160783978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).