5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide

C124H152N24O10S15 — CID 159099825

About 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide

5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159099825) has the molecular formula C124H152N24O10S15 and a molecular weight of 2619.74 g/mol. Its IUPAC name is 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 159099825
• Molecular Formula: C124H152N24O10S15
• Molecular Weight: 2619.74 g/mol
• Exact Mass: 2616.79
• IUPAC Name: 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide
• SMILES: C=S(N)(=O)c1ccc(SCC)c(Cc2nc(-c3sc(C)nc3C)cs2)c1.CCOc1ccncc1Cc1nc(-c2sc(C3CCN(C)CC3)nc2C)cs1.COc1ccncc1Cc1nc(-c2sc(N3CCN(C)CC3)nc2C)cs1.Cc1nc(C)c(-c2nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc2C)s1.Cc1nc(C2CCN(C)CC2)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C2CCN(C)CC2)sc1-c1csc(Cc2cc(S(N)(=O)=O)ccc2OC(C)C)n1
• InChI: InChI=1S/C24H30N4O2S2.C23H30N4O3S3.C21H26N4OS2.C19H23N5OS2.C19H22N4O2S2.C18H21N3OS4/c1-14(2)30-20-6-5-17(23(25)29)11-18(20)12-21-27-19(13-31-21)22-15(3)26-24(32-22)16-7-9-28(4)10-8-16;1-14(2)30-20-6-5-18(33(24,28)29)11-17(20)12-21-26-19(13-31-21)22-15(3)25-23(32-22)16-7-9-27(4)10-8-16;1-4-26-18-5-8-22-12-16(18)11-19-24-17(13-27-19)20-14(2)23-21(28-20)15-6-9-25(3)10-7-15;1-13-18(27-19(21-13)24-8-6-23(2)7-9-24)15-12-26-17(22-15)10-14-11-20-5-4-16(14)25-3;1-9(2)25-15-7-6-13(18(20)24)8-14(15)22-19-23-16(11(4)26-19)17-10(3)21-12(5)27-17;1-5-23-16-7-6-14(26(4,19)22)8-13(16)9-17-21-15(10-24-17)18-11(2)20-12(3)25-18/h5-6,11,13-14,16H,7-10,12H2,1-4H3,(H2,25,29);5-6,11,13-14,16H,7-10,12H2,1-4H3,(H2,24,28,29);5,8,12-13,15H,4,6-7,9-11H2,1-3H3;4-5,11-12H,6-10H2,1-3H3;6-9H,1-5H3,(H2,20,24)(H,22,23);6-8,10H,4-5,9H2,1-3H3,(H2,19,22)
• InChIKey: KDDHDXZZJKDGJY-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 444.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 37
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2619.74
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide (CID 159099825) is 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide is C=S(N)(=O)c1ccc(SCC)c(Cc2nc(-c3sc(C)nc3C)cs2)c1.CCOc1ccncc1Cc1nc(-c2sc(C3CCN(C)CC3)nc2C)cs1.COc1ccncc1Cc1nc(-c2sc(N3CCN(C)CC3)nc2C)cs1.Cc1nc(C)c(-c2nc(Nc3cc(C(N)=O)ccc3OC(C)C)sc2C)s1.Cc1nc(C2CCN(C)CC2)sc1-c1csc(Cc2cc(C(N)=O)ccc2OC(C)C)n1.Cc1nc(C2CCN(C)CC2)sc1-c1csc(Cc2cc(S(N)(=O)=O)ccc2OC(C)C)n1.

What is the InChIKey of 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is KDDHDXZZJKDGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S2.C23H30N4O3S3.C21H26N4OS2.C19H23N5OS2.C19H22N4O2S2.C18H21N3OS4/c1-14(2)30-20-6-5-17(23(25)29)11-18(20)12-21-27-19(13-31-21)22-15(3)26-24(32-22)16-7-9-28(4)10-8-16;1-14(2)30-20-6-5-18(33(24,28)29)11-17(20)12-21-26-19(13-31-21)22-15(3)25-23(32-22)16-7-9-27(4)10-8-16;1-4-26-18-5-8-22-12-16(18)11-19-24-17(13-27-19)20-14(2)23-21(28-20)15-6-9-25(3)10-7-15;1-13-18(27-19(21-13)24-8-6-23(2)7-9-24)15-12-26-17(22-15)10-14-11-20-5-4-16(14)25-3;1-9(2)25-15-7-6-13(18(20)24)8-14(15)22-19-23-16(11(4)26-19)17-10(3)21-12(5)27-17;1-5-23-16-7-6-14(26(4,19)22)8-13(16)9-17-21-15(10-24-17)18-11(2)20-12(3)25-18/h5-6,11,13-14,16H,7-10,12H2,1-4H3,(H2,25,29);5-6,11,13-14,16H,7-10,12H2,1-4H3,(H2,24,28,29);5,8,12-13,15H,4,6-7,9-11H2,1-3H3;4-5,11-12H,6-10H2,1-3H3;6-9H,1-5H3,(H2,20,24)(H,22,23);6-8,10H,4-5,9H2,1-3H3,(H2,19,22).

What are the key properties of 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide?

5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2619.74 g/mol, XLogP of 26.72, 37 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethylsulfanylphenyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;5-[2-[(4-ethoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;5-[2-[(4-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide;3-[[4-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159099825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).