1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone

C20H16N2O3S2 — CID 58067339

IUPAC1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
SMILESCOc1cc(OC)cc(C(=O)Cc2ccc(-c3nc4cnccc4s3)s2)c1
InChIInChI=1S/C20H16N2O3S2/c1-24-13-7-12(8-14(9-13)25-2)17(23)10-15-3-4-19(26-15)20-22-16-11-21-6-5-18(16)27-20/h3-9,11H,10H2,1-2H3
InChIKeyKJDSWLUGWQMVHM-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.86
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone

1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone (PubChem CID 58067339) has the molecular formula C20H16N2O3S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
PubChem CID58067339
Molecular FormulaC20H16N2O3S2
Molecular Weight396.49 g/mol
Exact Mass396.06
IUPAC Name1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
SMILESCOc1cc(OC)cc(C(=O)Cc2ccc(-c3nc4cnccc4s3)s2)c1
InChIInChI=1S/C20H16N2O3S2/c1-24-13-7-12(8-14(9-13)25-2)17(23)10-15-3-4-19(26-15)20-22-16-11-21-6-5-18(16)27-20/h3-9,11H,10H2,1-2H3
InChIKeyKJDSWLUGWQMVHM-UHFFFAOYSA-N
XLogP4.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone (CID 58067339) is 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone is COc1cc(OC)cc(C(=O)Cc2ccc(-c3nc4cnccc4s3)s2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The InChIKey is KJDSWLUGWQMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S2/c1-24-13-7-12(8-14(9-13)25-2)17(23)10-15-3-4-19(26-15)20-22-16-11-21-6-5-18(16)27-20/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 58067339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).