3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal

C107H89N19O15S8 — CID 159594722

About 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal

3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal (PubChem CID 159594722) has the molecular formula C107H89N19O15S8 and a molecular weight of 2137.54 g/mol. Its IUPAC name is 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal.

Molecular Properties

• Compound Name: 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal
• PubChem CID: 159594722
• Molecular Formula: C107H89N19O15S8
• Molecular Weight: 2137.54 g/mol
• Exact Mass: 2135.46
• IUPAC Name: 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal
• SMILES: Cc1nc2ccc(-c3nc(CCC=O)cs3)cc2[nH]1.O=CCCc1csc(-c2ccc3[nH]c(=O)[nH]c3c2)n1.O=CCCc1csc(-c2ccc3c(c2)CC(=O)O3)n1.O=CCCc1csc(-c2ccc3c(c2)COC3=O)n1.O=CCCc1csc(-c2ccc3nc[nH]c3c2)n1.O=CCCc1csc(-c2ccc3oc(=O)[nH]c3c2)n1.O=CCCc1csc(-c2ccn3ccnc3c2)n1.O=CCCc1csc(-c2cnc3[nH]ccc3c2)n1
• InChI: InChI=1S/C14H13N3OS.2C14H11NO3S.C13H11N3O2S.3C13H11N3OS.C13H10N2O3S/c1-9-15-12-5-4-10(7-13(12)16-9)14-17-11(8-19-14)3-2-6-18;16-5-1-2-11-8-19-13(15-11)9-3-4-12-10(6-9)7-18-14(12)17;16-5-1-2-11-8-19-14(15-11)9-3-4-12-10(6-9)7-13(17)18-12;17-5-1-2-9-7-19-12(14-9)8-3-4-10-11(6-8)16-13(18)15-10;17-7-1-2-11-9-18-13(15-11)10-3-5-16-6-4-14-12(16)8-10;17-5-1-2-11-8-18-13(16-11)10-6-9-3-4-14-12(9)15-7-10;17-5-1-2-10-7-18-13(16-10)9-3-4-11-12(6-9)15-8-14-11;16-5-1-2-9-7-19-12(14-9)8-3-4-11-10(6-8)15-13(17)18-11/h4-8H,2-3H2,1H3,(H,15,16);2*3-6,8H,1-2,7H2;3-7H,1-2H2,(H2,15,16,18);3-9H,1-2H2;2*3-8H,1-2H2,(H,14,15);3-7H,1-2H2,(H,15,17)
• InChIKey: MKRORWVHNFSMCB-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 490.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.54
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal?

The IUPAC name of 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal (CID 159594722) is 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal.

What is the SMILES notation for 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal?

The canonical SMILES for 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal is Cc1nc2ccc(-c3nc(CCC=O)cs3)cc2[nH]1.O=CCCc1csc(-c2ccc3[nH]c(=O)[nH]c3c2)n1.O=CCCc1csc(-c2ccc3c(c2)CC(=O)O3)n1.O=CCCc1csc(-c2ccc3c(c2)COC3=O)n1.O=CCCc1csc(-c2ccc3nc[nH]c3c2)n1.O=CCCc1csc(-c2ccc3oc(=O)[nH]c3c2)n1.O=CCCc1csc(-c2ccn3ccnc3c2)n1.O=CCCc1csc(-c2cnc3[nH]ccc3c2)n1.

What is the InChIKey of 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal?

The InChIKey is MKRORWVHNFSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS.2C14H11NO3S.C13H11N3O2S.3C13H11N3OS.C13H10N2O3S/c1-9-15-12-5-4-10(7-13(12)16-9)14-17-11(8-19-14)3-2-6-18;16-5-1-2-11-8-19-13(15-11)9-3-4-12-10(6-9)7-18-14(12)17;16-5-1-2-11-8-19-14(15-11)9-3-4-12-10(6-9)7-13(17)18-12;17-5-1-2-9-7-19-12(14-9)8-3-4-10-11(6-8)16-13(18)15-10;17-7-1-2-11-9-18-13(15-11)10-3-5-16-6-4-14-12(16)8-10;17-5-1-2-11-8-18-13(16-11)10-6-9-3-4-14-12(9)15-7-10;17-5-1-2-10-7-18-13(16-10)9-3-4-11-12(6-9)15-8-14-11;16-5-1-2-9-7-19-12(14-9)8-3-4-11-10(6-8)15-13(17)18-11/h4-8H,2-3H2,1H3,(H,15,16);2*3-6,8H,1-2,7H2;3-7H,1-2H2,(H2,15,16,18);3-9H,1-2H2;2*3-8H,1-2H2,(H,14,15);3-7H,1-2H2,(H,15,17).

What are the key properties of 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal?

3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal has a molecular weight of 2137.54 g/mol, XLogP of 20.85, 32 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-(2-imidazo[1,2-a]pyridin-7-yl-1,3-thiazol-4-yl)propanal;3-[2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1-oxo-3H-2-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazol-4-yl]propanal;3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-4-yl]propanal is sourced from PubChem (CID 159594722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).