3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal

C98H98N14O21S3 — CID 158951396

About 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal

3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal (PubChem CID 158951396) has the molecular formula C98H98N14O21S3 and a molecular weight of 1904.14 g/mol. Its IUPAC name is 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal.

Molecular Properties

• Compound Name: 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal
• PubChem CID: 158951396
• Molecular Formula: C98H98N14O21S3
• Molecular Weight: 1904.14 g/mol
• Exact Mass: 1902.62
• IUPAC Name: 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal
• SMILES: CN(C)c1ccc(-c2ccc(CCC=O)o2)nn1.CNc1ncc(-c2ccc(CCC=O)o2)s1.COC=Nc1ncc(-c2ccc(CCC=O)o2)s1.COc1ncc(-c2ccc(CCC=O)o2)s1.Cn1cc(-c2ccc(CCC=O)o2)ccc1=O.Cn1cc(-c2ccc(CCC=O)o2)cnc1=O.O=CCCc1ccc(-c2ccc(=O)[nH]c2)o1.O=CCCc1ccc(-c2ccc3nccn3c2)o1
• InChI: InChI=1S/C14H12N2O2.C13H15N3O2.C13H13NO3.C12H12N2O3S.C12H12N2O3.C12H11NO3.C11H12N2O2S.C11H11NO3S/c17-9-1-2-12-4-5-13(18-12)11-3-6-14-15-7-8-16(14)10-11;1-16(2)13-8-6-11(14-15-13)12-7-5-10(18-12)4-3-9-17;1-14-9-10(4-7-13(14)16)12-6-5-11(17-12)3-2-8-15;1-16-8-14-12-13-7-11(18-12)10-5-4-9(17-10)3-2-6-15;1-14-8-9(7-13-12(14)16)11-5-4-10(17-11)3-2-6-15;14-7-1-2-10-4-5-11(16-10)9-3-6-12(15)13-8-9;1-12-11-13-7-10(16-11)9-5-4-8(15-9)3-2-6-14;1-14-11-12-7-10(16-11)9-5-4-8(15-9)3-2-6-13/h3-10H,1-2H2;5-9H,3-4H2,1-2H3;4-9H,2-3H2,1H3;4-8H,2-3H2,1H3;4-8H,2-3H2,1H3;3-8H,1-2H2,(H,13,15);4-7H,2-3H2,1H3,(H,12,13);4-7H,2-3H2,1H3
• InChIKey: JLLYDUFITWLQHO-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 459.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.14
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal?

The IUPAC name of 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal (CID 158951396) is 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal.

What is the SMILES notation for 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal?

The canonical SMILES for 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal is CN(C)c1ccc(-c2ccc(CCC=O)o2)nn1.CNc1ncc(-c2ccc(CCC=O)o2)s1.COC=Nc1ncc(-c2ccc(CCC=O)o2)s1.COc1ncc(-c2ccc(CCC=O)o2)s1.Cn1cc(-c2ccc(CCC=O)o2)ccc1=O.Cn1cc(-c2ccc(CCC=O)o2)cnc1=O.O=CCCc1ccc(-c2ccc(=O)[nH]c2)o1.O=CCCc1ccc(-c2ccc3nccn3c2)o1.

What is the InChIKey of 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal?

The InChIKey is JLLYDUFITWLQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2.C13H15N3O2.C13H13NO3.C12H12N2O3S.C12H12N2O3.C12H11NO3.C11H12N2O2S.C11H11NO3S/c17-9-1-2-12-4-5-13(18-12)11-3-6-14-15-7-8-16(14)10-11;1-16(2)13-8-6-11(14-15-13)12-7-5-10(18-12)4-3-9-17;1-14-9-10(4-7-13(14)16)12-6-5-11(17-12)3-2-8-15;1-16-8-14-12-13-7-11(18-12)10-5-4-9(17-10)3-2-6-15;1-14-8-9(7-13-12(14)16)11-5-4-10(17-11)3-2-6-15;14-7-1-2-10-4-5-11(16-10)9-3-6-12(15)13-8-9;1-12-11-13-7-10(16-11)9-5-4-8(15-9)3-2-6-14;1-14-11-12-7-10(16-11)9-5-4-8(15-9)3-2-6-13/h3-10H,1-2H2;5-9H,3-4H2,1-2H3;4-9H,2-3H2,1H3;4-8H,2-3H2,1H3;4-8H,2-3H2,1H3;3-8H,1-2H2,(H,13,15);4-7H,2-3H2,1H3,(H,12,13);4-7H,2-3H2,1H3.

What are the key properties of 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal?

3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal has a molecular weight of 1904.14 g/mol, XLogP of 17.34, 37 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[6-(dimethylamino)pyridazin-3-yl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-6-ylfuran-2-yl)propanal;3-[5-(2-methoxy-1,3-thiazol-5-yl)furan-2-yl]propanal;3-[5-[2-(methylamino)-1,3-thiazol-5-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidate;3-[5-(1-methyl-6-oxo-3-pyridinyl)furan-2-yl]propanal;3-[5-(1-methyl-2-oxopyrimidin-5-yl)furan-2-yl]propanal;3-[5-(6-oxo-1H-pyridin-3-yl)furan-2-yl]propanal is sourced from PubChem (CID 158951396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).