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

C12H10N2O2S — CID 103985492

IUPAC5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2ccc3sccc3c2=O)on1
InChIInChI=1S/C12H10N2O2S/c1-8-6-9(16-13-8)7-14-4-2-11-10(12(14)15)3-5-17-11/h2-6H,7H2,1H3
InChIKeyCRRMPXAFTTXEHO-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.41
Rot. Bonds2

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

5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 103985492) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID103985492
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2ccc3sccc3c2=O)on1
InChIInChI=1S/C12H10N2O2S/c1-8-6-9(16-13-8)7-14-4-2-11-10(12(14)15)3-5-17-11/h2-6H,7H2,1H3
InChIKeyCRRMPXAFTTXEHO-UHFFFAOYSA-N
XLogP2.41
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one (CID 103985492) is 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one is Cc1cc(Cn2ccc3sccc3c2=O)on1.
What is the InChIKey of 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is CRRMPXAFTTXEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-8-6-9(16-13-8)7-14-4-2-11-10(12(14)15)3-5-17-11/h2-6H,7H2,1H3.
What are the key properties of 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 246.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 103985492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).