6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one

C13H12N2O2S — CID 99839786

IUPAC6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one
SMILESCc1noc(C)c1Cn1ccc2ccsc2c1=O
InChIInChI=1S/C13H12N2O2S/c1-8-11(9(2)17-14-8)7-15-5-3-10-4-6-18-12(10)13(15)16/h3-6H,7H2,1-2H3
InChIKeyDPCXVJZDQLBBPC-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.72
Rot. Bonds2

About 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one (PubChem CID 99839786) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one
PubChem CID99839786
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one
SMILESCc1noc(C)c1Cn1ccc2ccsc2c1=O
InChIInChI=1S/C13H12N2O2S/c1-8-11(9(2)17-14-8)7-15-5-3-10-4-6-18-12(10)13(15)16/h3-6H,7H2,1-2H3
InChIKeyDPCXVJZDQLBBPC-UHFFFAOYSA-N
XLogP2.72
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one 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 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one (CID 99839786) is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one is Cc1noc(C)c1Cn1ccc2ccsc2c1=O.
What is the InChIKey of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one?
The InChIKey is DPCXVJZDQLBBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-11(9(2)17-14-8)7-15-5-3-10-4-6-18-12(10)13(15)16/h3-6H,7H2,1-2H3.
What are the key properties of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one?
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one has a molecular weight of 260.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 99839786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).