3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal

C106H104N8O14S5 — CID 159034061

IUPAC3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal
SMILESCC(O)c1ccc(-c2ccc(CCC=O)o2)cc1.Cc1nc(-c2ccc(CCC=O)s2)cs1.Cn1ncc2cc(-c3ccc(CCC=O)o3)ccc21.O=CCCc1ccc(-c2ccc3[nH]ccc3c2)o1.O=CCCc1ccc(-c2ccccc2)s1.O=CCCc1ccc(-c2ccccn2)s1.O=CCCc1ccc(-c2ccn3ccnc3c2)o1.O=CCCc1ccc(N2CCOCC2)s1
InChIInChI=1S/C15H14N2O2.C15H13NO2.C15H16O3.C14H12N2O2.C13H12OS.C12H11NOS.C11H15NO2S.C11H11NOS2/c1-17-14-6-4-11(9-12(14)10-16-17)15-7-5-13(19-15)3-2-8-18;17-9-1-2-13-4-6-15(18-13)12-3-5-14-11(10-12)7-8-16-14;1-11(17)12-4-6-13(7-5-12)15-9-8-14(18-15)3-2-10-16;17-9-1-2-12-3-4-13(18-12)11-5-7-16-8-6-15-14(16)10-11;14-10-4-7-12-8-9-13(15-12)11-5-2-1-3-6-11;14-9-3-4-10-6-7-12(15-10)11-5-1-2-8-13-11;13-7-1-2-10-3-4-11(15-10)12-5-8-14-9-6-12;1-8-12-10(7-14-8)11-5-4-9(15-11)3-2-6-13/h4-10H,2-3H2,1H3;3-10,16H,1-2H2;4-11,17H,2-3H2,1H3;3-10H,1-2H2;1-3,5-6,8-10H,4,7H2;1-2,5-9H,3-4H2;3-4,7H,1-2,5-6,8-9H2;4-7H,2-3H2,1H3
InChIKeyJVFVZQXURAVNIX-UHFFFAOYSA-N
MW1874.37 g/mol
LogP23.90
Rot. Bonds33

About 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal

3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal (PubChem CID 159034061) has the molecular formula C106H104N8O14S5 and a molecular weight of 1874.37 g/mol. Its IUPAC name is 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal.

Molecular Properties

Compound Name3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal
PubChem CID159034061
Molecular FormulaC106H104N8O14S5
Molecular Weight1874.37 g/mol
Exact Mass1872.63
IUPAC Name3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal
SMILESCC(O)c1ccc(-c2ccc(CCC=O)o2)cc1.Cc1nc(-c2ccc(CCC=O)s2)cs1.Cn1ncc2cc(-c3ccc(CCC=O)o3)ccc21.O=CCCc1ccc(-c2ccc3[nH]ccc3c2)o1.O=CCCc1ccc(-c2ccccc2)s1.O=CCCc1ccc(-c2ccccn2)s1.O=CCCc1ccc(-c2ccn3ccnc3c2)o1.O=CCCc1ccc(N2CCOCC2)s1
InChIInChI=1S/C15H14N2O2.C15H13NO2.C15H16O3.C14H12N2O2.C13H12OS.C12H11NOS.C11H15NO2S.C11H11NOS2/c1-17-14-6-4-11(9-12(14)10-16-17)15-7-5-13(19-15)3-2-8-18;17-9-1-2-13-4-6-15(18-13)12-3-5-14-11(10-12)7-8-16-14;1-11(17)12-4-6-13(7-5-12)15-9-8-14(18-15)3-2-10-16;17-9-1-2-12-3-4-13(18-12)11-5-7-16-8-6-15-14(16)10-11;14-10-4-7-12-8-9-13(15-12)11-5-2-1-3-6-11;14-9-3-4-10-6-7-12(15-10)11-5-1-2-8-13-11;13-7-1-2-10-3-4-11(15-10)12-5-8-14-9-6-12;1-8-12-10(7-14-8)11-5-4-9(15-11)3-2-6-13/h4-10H,2-3H2,1H3;3-10,16H,1-2H2;4-11,17H,2-3H2,1H3;3-10H,1-2H2;1-3,5-6,8-10H,4,7H2;1-2,5-9H,3-4H2;3-4,7H,1-2,5-6,8-9H2;4-7H,2-3H2,1H3
InChIKeyJVFVZQXURAVNIX-UHFFFAOYSA-N
XLogP23.90
TPSA298.51 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.37
LogP ≤ 523.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal?
The IUPAC name of 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal (CID 159034061) is 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal.
What is the SMILES notation for 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal?
The canonical SMILES for 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal is CC(O)c1ccc(-c2ccc(CCC=O)o2)cc1.Cc1nc(-c2ccc(CCC=O)s2)cs1.Cn1ncc2cc(-c3ccc(CCC=O)o3)ccc21.O=CCCc1ccc(-c2ccc3[nH]ccc3c2)o1.O=CCCc1ccc(-c2ccccc2)s1.O=CCCc1ccc(-c2ccccn2)s1.O=CCCc1ccc(-c2ccn3ccnc3c2)o1.O=CCCc1ccc(N2CCOCC2)s1.
What is the InChIKey of 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal?
The InChIKey is JVFVZQXURAVNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.C15H13NO2.C15H16O3.C14H12N2O2.C13H12OS.C12H11NOS.C11H15NO2S.C11H11NOS2/c1-17-14-6-4-11(9-12(14)10-16-17)15-7-5-13(19-15)3-2-8-18;17-9-1-2-13-4-6-15(18-13)12-3-5-14-11(10-12)7-8-16-14;1-11(17)12-4-6-13(7-5-12)15-9-8-14(18-15)3-2-10-16;17-9-1-2-12-3-4-13(18-12)11-5-7-16-8-6-15-14(16)10-11;14-10-4-7-12-8-9-13(15-12)11-5-2-1-3-6-11;14-9-3-4-10-6-7-12(15-10)11-5-1-2-8-13-11;13-7-1-2-10-3-4-11(15-10)12-5-8-14-9-6-12;1-8-12-10(7-14-8)11-5-4-9(15-11)3-2-6-13/h4-10H,2-3H2,1H3;3-10,16H,1-2H2;4-11,17H,2-3H2,1H3;3-10H,1-2H2;1-3,5-6,8-10H,4,7H2;1-2,5-9H,3-4H2;3-4,7H,1-2,5-6,8-9H2;4-7H,2-3H2,1H3.
What are the key properties of 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal?
3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal has a molecular weight of 1874.37 g/mol, XLogP of 23.90, 33 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal is sourced from PubChem (CID 159034061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).