3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

C99H115F3N26O10S10 — CID 159008429

About 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide

3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (PubChem CID 159008429) has the molecular formula C99H115F3N26O10S10 and a molecular weight of 2206.84 g/mol. Its IUPAC name is 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• PubChem CID: 159008429
• Molecular Formula: C99H115F3N26O10S10
• Molecular Weight: 2206.84 g/mol
• Exact Mass: 2204.64
• IUPAC Name: 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
• SMILES: COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C(F)(F)F)cs1.Cc1nc(N(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(N2CCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(N2CCCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(N2CCN(C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C22H28N6O2S2.C22H27N5O2S2.C21H25N5O2S2.C19H23N5O2S2.C15H12F3N5O2S2/c1-13(2)30-18-6-5-15(20(23)29)11-16(18)25-21-26-17(12-31-21)19-14(3)24-22(32-19)28-9-7-27(4)8-10-28;1-13(2)29-18-8-7-15(20(23)28)11-16(18)25-21-26-17(12-30-21)19-14(3)24-22(31-19)27-9-5-4-6-10-27;1-12(2)28-17-7-6-14(19(22)27)10-15(17)24-20-25-16(11-29-20)18-13(3)23-21(30-18)26-8-4-5-9-26;1-10(2)26-15-7-6-12(17(20)25)8-13(15)22-18-23-14(9-27-18)16-11(3)21-19(28-16)24(4)5;1-25-9-3-2-6(12(19)24)4-7(9)21-14-22-8(5-26-14)10-11(15(16,17)18)23-13(20)27-10/h5-6,11-13H,7-10H2,1-4H3,(H2,23,29)(H,25,26);7-8,11-13H,4-6,9-10H2,1-3H3,(H2,23,28)(H,25,26);6-7,10-12H,4-5,8-9H2,1-3H3,(H2,22,27)(H,24,25);6-10H,1-5H3,(H2,20,25)(H,22,23);2-5H,1H3,(H2,19,24)(H2,20,23)(H,21,22)
• InChIKey: JSFCJKLFMGVBSU-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 492.87 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.84
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide (CID 159008429) is 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide.

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

The canonical SMILES for 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C(F)(F)F)cs1.Cc1nc(N(C)C)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(N2CCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(N2CCCCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(N2CCN(C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1.

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

The InChIKey is JSFCJKLFMGVBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S2.C22H27N5O2S2.C21H25N5O2S2.C19H23N5O2S2.C15H12F3N5O2S2/c1-13(2)30-18-6-5-15(20(23)29)11-16(18)25-21-26-17(12-31-21)19-14(3)24-22(32-19)28-9-7-27(4)8-10-28;1-13(2)29-18-8-7-15(20(23)28)11-16(18)25-21-26-17(12-30-21)19-14(3)24-22(31-19)27-9-5-4-6-10-27;1-12(2)28-17-7-6-14(19(22)27)10-15(17)24-20-25-16(11-29-20)18-13(3)23-21(30-18)26-8-4-5-9-26;1-10(2)26-15-7-6-12(17(20)25)8-13(15)22-18-23-14(9-27-18)16-11(3)21-19(28-16)24(4)5;1-25-9-3-2-6(12(19)24)4-7(9)21-14-22-8(5-26-14)10-11(15(16,17)18)23-13(20)27-10/h5-6,11-13H,7-10H2,1-4H3,(H2,23,29)(H,25,26);7-8,11-13H,4-6,9-10H2,1-3H3,(H2,23,28)(H,25,26);6-7,10-12H,4-5,8-9H2,1-3H3,(H2,22,27)(H,24,25);6-10H,1-5H3,(H2,20,25)(H,22,23);2-5H,1H3,(H2,19,24)(H2,20,23)(H,21,22).

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

3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide has a molecular weight of 2206.84 g/mol, XLogP of 21.95, 33 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;3-[[4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 159008429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).