3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

C82H89N19O13S9 — CID 159420054

About 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159420054) has the molecular formula C82H89N19O13S9 and a molecular weight of 1837.34 g/mol. Its IUPAC name is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 159420054
• Molecular Formula: C82H89N19O13S9
• Molecular Weight: 1837.34 g/mol
• Exact Mass: 1835.44
• IUPAC Name: 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• SMILES: COc1ccc(C(=O)NCCN2CCCCC2)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(C(=O)NCc2ccccc2)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(C(=O)O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(S(N)(=O)=O)ccc3OC(C)C)n2)s1
• InChI: InChI=1S/C24H30N6O3S2.C24H23N5O3S2.C17H16N4O4S2.C17H20N4O3S3/c1-15-21(35-24(26-15)27-16(2)31)19-14-34-23(29-19)28-18-13-17(7-8-20(18)33-3)22(32)25-9-12-30-10-5-4-6-11-30;1-14-21(34-24(26-14)27-15(2)30)19-13-33-23(29-19)28-18-11-17(9-10-20(18)32-3)22(31)25-12-16-7-5-4-6-8-16;1-8-14(27-17(18-8)19-9(2)22)12-7-26-16(21-12)20-11-6-10(15(23)24)4-5-13(11)25-3;1-9(2)24-15-6-5-12(27(18,22)23)7-13(15)20-17-21-14(8-25-17)16-10(3)19-11(4)26-16/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,25,32)(H,28,29)(H,26,27,31);4-11,13H,12H2,1-3H3,(H,25,31)(H,28,29)(H,26,27,30);4-7H,1-3H3,(H,20,21)(H,23,24)(H,18,19,22);5-9H,1-4H3,(H,20,21)(H2,18,22,23)
• InChIKey: LPQOMEDOWQVOQO-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 434.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1837.34
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (CID 159420054) is 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is COc1ccc(C(=O)NCCN2CCCCC2)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(C(=O)NCc2ccccc2)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.COc1ccc(C(=O)O)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.Cc1nc(C)c(-c2csc(Nc3cc(S(N)(=O)=O)ccc3OC(C)C)n2)s1.

What is the InChIKey of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is LPQOMEDOWQVOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S2.C24H23N5O3S2.C17H16N4O4S2.C17H20N4O3S3/c1-15-21(35-24(26-15)27-16(2)31)19-14-34-23(29-19)28-18-13-17(7-8-20(18)33-3)22(32)25-9-12-30-10-5-4-6-11-30;1-14-21(34-24(26-14)27-15(2)30)19-13-33-23(29-19)28-18-11-17(9-10-20(18)32-3)22(31)25-12-16-7-5-4-6-8-16;1-8-14(27-17(18-8)19-9(2)22)12-7-26-16(21-12)20-11-6-10(15(23)24)4-5-13(11)25-3;1-9(2)24-15-6-5-12(27(18,22)23)7-13(15)20-17-21-14(8-25-17)16-10(3)19-11(4)26-16/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,25,32)(H,28,29)(H,26,27,31);4-11,13H,12H2,1-3H3,(H,25,31)(H,28,29)(H,26,27,30);4-7H,1-3H3,(H,20,21)(H,23,24)(H,18,19,22);5-9H,1-4H3,(H,20,21)(H2,18,22,23).

What are the key properties of 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 1837.34 g/mol, XLogP of 17.76, 29 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-benzyl-4-methoxybenzamide;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzoic acid;3-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159420054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).