4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C93H104N20O10S10 — CID 158856055

About 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 158856055) has the molecular formula C93H104N20O10S10 and a molecular weight of 1982.65 g/mol. Its IUPAC name is 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 158856055
• Molecular Formula: C93H104N20O10S10
• Molecular Weight: 1982.65 g/mol
• Exact Mass: 1980.55
• IUPAC Name: 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CCC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.CCCOc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.COc1ccc(C)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)(C)C)n2)s1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC3CCCC3)n2)s1
• InChI: InChI=1S/C20H22N4O2S2.2C19H22N4O2S2.C18H20N4O2S2.C17H18N4O2S2/c1-11-18(28-12(2)22-11)16-10-27-20(24-16)23-15-9-13(19(21)25)7-8-17(15)26-14-5-3-4-6-14;1-10-16(27-11(2)21-10)14-9-26-18(23-14)22-13-8-12(17(20)24)6-7-15(13)25-19(3,4)5;1-5-10(2)25-16-7-6-13(18(20)24)8-14(16)22-19-23-15(9-26-19)17-11(3)21-12(4)27-17;1-4-7-24-15-6-5-12(17(19)23)8-13(15)21-18-22-14(9-25-18)16-10(2)20-11(3)26-16;1-9-5-6-14(23-4)12(7-9)20-16-21-13(8-24-16)15-10(2)18-17(25-15)19-11(3)22/h7-10,14H,3-6H2,1-2H3,(H2,21,25)(H,23,24);6-9H,1-5H3,(H2,20,24)(H,22,23);6-10H,5H2,1-4H3,(H2,20,24)(H,22,23);5-6,8-9H,4,7H2,1-3H3,(H2,19,23)(H,21,22);5-8H,1-4H3,(H,20,21)(H,18,19,22)
• InChIKey: JABIHPYAKRZBKN-UHFFFAOYSA-N
• XLogP: 23.96
• TPSA: 436.66 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1982.65
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 158856055) is 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CCC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.CCCOc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1.COc1ccc(C)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC(C)(C)C)n2)s1.Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OC3CCCC3)n2)s1.

What is the InChIKey of 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is JABIHPYAKRZBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S2.2C19H22N4O2S2.C18H20N4O2S2.C17H18N4O2S2/c1-11-18(28-12(2)22-11)16-10-27-20(24-16)23-15-9-13(19(21)25)7-8-17(15)26-14-5-3-4-6-14;1-10-16(27-11(2)21-10)14-9-26-18(23-14)22-13-8-12(17(20)24)6-7-15(13)25-19(3,4)5;1-5-10(2)25-16-7-6-13(18(20)24)8-14(16)22-19-23-15(9-26-19)17-11(3)21-12(4)27-17;1-4-7-24-15-6-5-12(17(19)23)8-13(15)21-18-22-14(9-25-18)16-10(2)20-11(3)26-16;1-9-5-6-14(23-4)12(7-9)20-16-21-13(8-24-16)15-10(2)18-17(25-15)19-11(3)22/h7-10,14H,3-6H2,1-2H3,(H2,21,25)(H,23,24);6-9H,1-5H3,(H2,20,24)(H,22,23);6-10H,5H2,1-4H3,(H2,20,24)(H,22,23);5-6,8-9H,4,7H2,1-3H3,(H2,19,23)(H,21,22);5-8H,1-4H3,(H,20,21)(H,18,19,22).

What are the key properties of 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 1982.65 g/mol, XLogP of 23.96, 30 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butan-2-yloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;4-cyclopentyloxy-3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-[(2-methylpropan-2-yl)oxy]benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propoxybenzamide;N-[5-[2-(2-methoxy-5-methylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158856055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).