5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane

C70H57N3O16S3 — CID 161312421

IUPAC5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane
SMILESC.COc1cc(-c2ccc(C(C)=O)s2)cc(C=O)c1O.COc1cc(C#Cc2cccnc2)cc(C=O)c1O.COc1cc(C#Cc2cccs2)cc(C=O)c1O.COc1ncc(-c2cc(C=O)c(O)c(OC)c2)s1.O=Cc1cc(C#Cc2ccccn2)ccc1O
InChIInChI=1S/C15H11NO3.C14H9NO2.C14H12O4S.C14H10O3S.C12H11NO4S.CH4/c1-19-14-8-12(7-13(10-17)15(14)18)5-4-11-3-2-6-16-9-11;16-10-12-9-11(5-7-14(12)17)4-6-13-3-1-2-8-15-13;1-8(16)12-3-4-13(19-12)9-5-10(7-15)14(17)11(6-9)18-2;1-17-13-8-10(7-11(9-15)14(13)16)4-5-12-3-2-6-18-12;1-16-9-4-7(3-8(6-14)11(9)15)10-5-13-12(17-2)18-10;/h2-3,6-10,18H,1H3;1-3,5,7-10,17H;3-7,17H,1-2H3;2-3,6-9,16H,1H3;3-6,15H,1-2H3;1H4
InChIKeyVJBINHOFJKKPRL-UHFFFAOYSA-N
MW1292.43 g/mol
LogP12.81
Rot. Bonds13

About 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane

5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane (PubChem CID 161312421) has the molecular formula C70H57N3O16S3 and a molecular weight of 1292.43 g/mol. Its IUPAC name is 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane.

Molecular Properties

Compound Name5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane
PubChem CID161312421
Molecular FormulaC70H57N3O16S3
Molecular Weight1292.43 g/mol
Exact Mass1291.29
IUPAC Name5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane
SMILESC.COc1cc(-c2ccc(C(C)=O)s2)cc(C=O)c1O.COc1cc(C#Cc2cccnc2)cc(C=O)c1O.COc1cc(C#Cc2cccs2)cc(C=O)c1O.COc1ncc(-c2cc(C=O)c(O)c(OC)c2)s1.O=Cc1cc(C#Cc2ccccn2)ccc1O
InChIInChI=1S/C15H11NO3.C14H9NO2.C14H12O4S.C14H10O3S.C12H11NO4S.CH4/c1-19-14-8-12(7-13(10-17)15(14)18)5-4-11-3-2-6-16-9-11;16-10-12-9-11(5-7-14(12)17)4-6-13-3-1-2-8-15-13;1-8(16)12-3-4-13(19-12)9-5-10(7-15)14(17)11(6-9)18-2;1-17-13-8-10(7-11(9-15)14(13)16)4-5-12-3-2-6-18-12;1-16-9-4-7(3-8(6-14)11(9)15)10-5-13-12(17-2)18-10;/h2-3,6-10,18H,1H3;1-3,5,7-10,17H;3-7,17H,1-2H3;2-3,6-9,16H,1H3;3-6,15H,1-2H3;1H4
InChIKeyVJBINHOFJKKPRL-UHFFFAOYSA-N
XLogP12.81
TPSA288.39 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.43
LogP ≤ 512.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-Dimethoxy-5-methylphenyl)-2-[3-(hydroxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]ethanone;3-[2-(3,4-dimethoxy-5-methylphenyl)-2-oxoethyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)benzoic acid
CID 123492185
3-[2-(3,4-Dimethoxy-5-methylphenyl)-2-oxoethyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)benzoic acid;methyl 3-[2-(3,4-dimethoxy-5-methylphenyl)-2-oxoethyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
CID 123997875
5-(5-Acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane
CID 158377303
2,5-Dimethyl-1,4-dithiane;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-(3-fluoro-4-methylphenyl)-2-hydroxypropanoic acid;2-hydroxy-5-methylbenzaldehyde;5-methyl-1,3-benzodioxole;3-methyloxolane
CID 161396082
5-(5-Acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde
CID 161869652

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?
The IUPAC name of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane (CID 161312421) is 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane.
What is the SMILES notation for 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?
The canonical SMILES for 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane is C.COc1cc(-c2ccc(C(C)=O)s2)cc(C=O)c1O.COc1cc(C#Cc2cccnc2)cc(C=O)c1O.COc1cc(C#Cc2cccs2)cc(C=O)c1O.COc1ncc(-c2cc(C=O)c(O)c(OC)c2)s1.O=Cc1cc(C#Cc2ccccn2)ccc1O.
What is the InChIKey of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?
The InChIKey is VJBINHOFJKKPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3.C14H9NO2.C14H12O4S.C14H10O3S.C12H11NO4S.CH4/c1-19-14-8-12(7-13(10-17)15(14)18)5-4-11-3-2-6-16-9-11;16-10-12-9-11(5-7-14(12)17)4-6-13-3-1-2-8-15-13;1-8(16)12-3-4-13(19-12)9-5-10(7-15)14(17)11(6-9)18-2;1-17-13-8-10(7-11(9-15)14(13)16)4-5-12-3-2-6-18-12;1-16-9-4-7(3-8(6-14)11(9)15)10-5-13-12(17-2)18-10;/h2-3,6-10,18H,1H3;1-3,5,7-10,17H;3-7,17H,1-2H3;2-3,6-9,16H,1H3;3-6,15H,1-2H3;1H4.
What are the key properties of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?
5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane has a molecular weight of 1292.43 g/mol, XLogP of 12.81, 13 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-3-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane is sourced from PubChem (CID 161312421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).