3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

C93H100N20O16S9 — CID 159860928

About 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 159860928) has the molecular formula C93H100N20O16S9 and a molecular weight of 2042.55 g/mol. Its IUPAC name is 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
• PubChem CID: 159860928
• Molecular Formula: C93H100N20O16S9
• Molecular Weight: 2042.55 g/mol
• Exact Mass: 2040.51
• IUPAC Name: 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
• SMILES: C=CCOc1cc(OCCc2scnc2C)cc(C(=O)Nc2nncs2)c1.CC(C)Oc1cc(C=O)cc(C(=O)Nc2nccs2)c1.CC(C)Oc1cc(CN(C)C)cc(C(=O)Nc2nccs2)c1.Cc1ncsc1CCOc1cc(C(=O)O)cc(N(C)C)c1.Cc1ncsc1CCOc1cc(N)cc(C(=O)Nc2nncs2)c1.Cc1ncsc1CCOc1cc(O)cc(C(=O)Nc2nncs2)c1
• InChI: InChI=1S/C18H18N4O3S2.C16H21N3O2S.C15H15N5O2S2.C15H14N4O3S2.C15H18N2O3S.C14H14N2O3S/c1-3-5-24-14-7-13(17(23)21-18-22-20-11-27-18)8-15(9-14)25-6-4-16-12(2)19-10-26-16;1-11(2)21-14-8-12(10-19(3)4)7-13(9-14)15(20)18-16-17-5-6-22-16;1-9-13(23-7-17-9)2-3-22-12-5-10(4-11(16)6-12)14(21)19-15-20-18-8-24-15;1-9-13(23-7-16-9)2-3-22-12-5-10(4-11(20)6-12)14(21)18-15-19-17-8-24-15;1-10-14(21-9-16-10)4-5-20-13-7-11(15(18)19)6-12(8-13)17(2)3;1-9(2)19-12-6-10(8-17)5-11(7-12)13(18)16-14-15-3-4-20-14/h3,7-11H,1,4-6H2,2H3,(H,21,22,23);5-9,11H,10H2,1-4H3,(H,17,18,20);4-8H,2-3,16H2,1H3,(H,19,20,21);4-8,20H,2-3H2,1H3,(H,18,19,21);6-9H,4-5H2,1-3H3,(H,18,19);3-9H,1-2H3,(H,15,16,18)
• InChIKey: NRDDEKHUBWXALJ-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 471.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.55
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?

The IUPAC name of 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 159860928) is 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

What is the SMILES notation for 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?

The canonical SMILES for 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is C=CCOc1cc(OCCc2scnc2C)cc(C(=O)Nc2nncs2)c1.CC(C)Oc1cc(C=O)cc(C(=O)Nc2nccs2)c1.CC(C)Oc1cc(CN(C)C)cc(C(=O)Nc2nccs2)c1.Cc1ncsc1CCOc1cc(C(=O)O)cc(N(C)C)c1.Cc1ncsc1CCOc1cc(N)cc(C(=O)Nc2nncs2)c1.Cc1ncsc1CCOc1cc(O)cc(C(=O)Nc2nncs2)c1.

What is the InChIKey of 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?

The InChIKey is NRDDEKHUBWXALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2.C16H21N3O2S.C15H15N5O2S2.C15H14N4O3S2.C15H18N2O3S.C14H14N2O3S/c1-3-5-24-14-7-13(17(23)21-18-22-20-11-27-18)8-15(9-14)25-6-4-16-12(2)19-10-26-16;1-11(2)21-14-8-12(10-19(3)4)7-13(9-14)15(20)18-16-17-5-6-22-16;1-9-13(23-7-17-9)2-3-22-12-5-10(4-11(16)6-12)14(21)19-15-20-18-8-24-15;1-9-13(23-7-16-9)2-3-22-12-5-10(4-11(20)6-12)14(21)18-15-19-17-8-24-15;1-10-14(21-9-16-10)4-5-20-13-7-11(15(18)19)6-12(8-13)17(2)3;1-9(2)19-12-6-10(8-17)5-11(7-12)13(18)16-14-15-3-4-20-14/h3,7-11H,1,4-6H2,2H3,(H,21,22,23);5-9,11H,10H2,1-4H3,(H,17,18,20);4-8H,2-3,16H2,1H3,(H,19,20,21);4-8,20H,2-3H2,1H3,(H,18,19,21);6-9H,4-5H2,1-3H3,(H,18,19);3-9H,1-2H3,(H,15,16,18).

What are the key properties of 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?

3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 2042.55 g/mol, XLogP of 18.46, 38 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[(dimethylamino)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-(dimethylamino)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid;3-formyl-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide;3-hydroxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide;3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-5-prop-2-enoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 159860928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).