3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

C112H142N26O11S10 — CID 160868097

About 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (PubChem CID 160868097) has the molecular formula C112H142N26O11S10 and a molecular weight of 2349.21 g/mol. Its IUPAC name is 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• PubChem CID: 160868097
• Molecular Formula: C112H142N26O11S10
• Molecular Weight: 2349.21 g/mol
• Exact Mass: 2346.86
• IUPAC Name: 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• SMILES: Cc1nc(CN(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCC(O)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCCN(C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C24H32N6O2S2.C23H29N5O3S2.C23H29N5O2S2.C22H27N5O2S2.C20H25N5O2S2/c1-15(2)32-20-7-6-17(23(25)31)12-18(20)27-24-28-19(14-33-24)22-16(3)26-21(34-22)13-30-9-5-8-29(4)10-11-30;1-13(2)31-19-5-4-15(22(24)30)10-17(19)26-23-27-18(12-32-23)21-14(3)25-20(33-21)11-28-8-6-16(29)7-9-28;1-14(2)30-19-8-7-16(22(24)29)11-17(19)26-23-27-18(13-31-23)21-15(3)25-20(32-21)12-28-9-5-4-6-10-28;1-13(2)29-18-7-6-15(21(23)28)10-16(18)25-22-26-17(12-30-22)20-14(3)24-19(31-20)11-27-8-4-5-9-27;1-11(2)27-16-7-6-13(19(21)26)8-14(16)23-20-24-15(10-28-20)18-12(3)22-17(29-18)9-25(4)5/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H2,25,31)(H,27,28);4-5,10,12-13,16,29H,6-9,11H2,1-3H3,(H2,24,30)(H,26,27);7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H2,24,29)(H,26,27);6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,23,28)(H,25,26);6-8,10-11H,9H2,1-5H3,(H2,21,26)(H,23,24)
• InChIKey: SLJZJCRBPKAIQO-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 490.32 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 40
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.21
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The IUPAC name of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (CID 160868097) is 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The canonical SMILES for 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is Cc1nc(CN(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCC(O)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(CN2CCCN(C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.

What is the InChIKey of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

The InChIKey is SLJZJCRBPKAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S2.C23H29N5O3S2.C23H29N5O2S2.C22H27N5O2S2.C20H25N5O2S2/c1-15(2)32-20-7-6-17(23(25)31)12-18(20)27-24-28-19(14-33-24)22-16(3)26-21(34-22)13-30-9-5-8-29(4)10-11-30;1-13(2)31-19-5-4-15(22(24)30)10-17(19)26-23-27-18(12-32-23)21-14(3)25-20(33-21)11-28-8-6-16(29)7-9-28;1-14(2)30-19-8-7-16(22(24)29)11-17(19)26-23-27-18(13-31-23)21-15(3)25-20(32-21)12-28-9-5-4-6-10-28;1-13(2)29-18-7-6-15(21(23)28)10-16(18)25-22-26-17(12-30-22)20-14(3)24-19(31-20)11-27-8-4-5-9-27;1-11(2)27-16-7-6-13(19(21)26)8-14(16)23-20-24-15(10-28-20)18-12(3)22-17(29-18)9-25(4)5/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H2,25,31)(H,27,28);4-5,10,12-13,16,29H,6-9,11H2,1-3H3,(H2,24,30)(H,26,27);7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H2,24,29)(H,26,27);6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,23,28)(H,25,26);6-8,10-11H,9H2,1-5H3,(H2,21,26)(H,23,24).

What are the key properties of 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide?

3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide has a molecular weight of 2349.21 g/mol, XLogP of 22.76, 40 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[2-[(4-hydroxypiperidin-1-yl)methyl]-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-diazepan-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 160868097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).