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-hydroxypiperidine-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-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

C90H110N22O13S8 — CID 158197956

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-hydroxypiperidine-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-methyl-1,4-diazepane-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-hydroxypiperidine-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-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (PubChem CID 158197956) has the molecular formula C90H110N22O13S8 and a molecular weight of 1964.55 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-hydroxypiperidine-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-methyl-1,4-diazepane-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-hydroxypiperidine-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-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• PubChem CID: 158197956
• Molecular Formula: C90H110N22O13S8
• Molecular Weight: 1964.55 g/mol
• Exact Mass: 1962.64
• 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-hydroxypiperidine-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-methyl-1,4-diazepane-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)N2CCC(O)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCCN(C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C24H30N6O3S2.C23H30N6O3S2.C23H27N5O4S2.C20H23N5O3S2/c1-14(2)33-19-7-6-16(21(25)31)12-17(19)27-24-28-18(13-34-24)20-15(3)26-22(35-20)23(32)30-9-5-8-29(4)10-11-30;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;1-12(2)32-18-5-4-14(20(24)30)10-16(18)26-23-27-17(11-33-23)19-13(3)25-21(34-19)22(31)28-8-6-15(29)7-9-28;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/h6-7,12-14H,5,8-11H2,1-4H3,(H2,25,31)(H,27,28);7-8,11-13H,9-10H2,1-6H3,(H2,24,30)(H,26,27);4-5,10-12,15,29H,6-9H2,1-3H3,(H2,24,30)(H,26,27);6-10H,1-5H3,(H2,21,26)(H,23,24)
• InChIKey: GAOKSCDMDBFFAL-UHFFFAOYSA-N
• XLogP: 15.53
• TPSA: 468.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.55
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

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-hydroxypiperidine-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-methyl-1,4-diazepane-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-hydroxypiperidine-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-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (CID 158197956) 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-hydroxypiperidine-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-methyl-1,4-diazepane-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-hydroxypiperidine-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-methyl-1,4-diazepane-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-hydroxypiperidine-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-methyl-1,4-diazepane-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)N2CCC(O)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C(=O)N2CCCN(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]-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-hydroxypiperidine-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-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The InChIKey is GAOKSCDMDBFFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S2.C23H30N6O3S2.C23H27N5O4S2.C20H23N5O3S2/c1-14(2)33-19-7-6-16(21(25)31)12-17(19)27-24-28-18(13-34-24)20-15(3)26-22(35-20)23(32)30-9-5-8-29(4)10-11-30;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;1-12(2)32-18-5-4-14(20(24)30)10-16(18)26-23-27-17(11-33-23)19-13(3)25-21(34-19)22(31)28-8-6-15(29)7-9-28;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/h6-7,12-14H,5,8-11H2,1-4H3,(H2,25,31)(H,27,28);7-8,11-13H,9-10H2,1-6H3,(H2,24,30)(H,26,27);4-5,10-12,15,29H,6-9H2,1-3H3,(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-hydroxypiperidine-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-methyl-1,4-diazepane-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-hydroxypiperidine-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-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide has a molecular weight of 1964.55 g/mol, XLogP of 15.53, 31 rotatable bonds, 9 hydrogen bond donors, and 35 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-hydroxypiperidine-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-methyl-1,4-diazepane-1-carbonyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 158197956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).