6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one

C9H9NOS — CID 134859835

IUPAC6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one
SMILESCc1[nH]c(=O)c2ccsc2c1C
InChIInChI=1S/C9H9NOS/c1-5-6(2)10-9(11)7-3-4-12-8(5)7/h3-4H,1-2H3,(H,10,11)
InChIKeyDVXNSUVBBJZYHP-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.21
Rot. Bonds

About 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one

6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 134859835) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID134859835
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one
SMILESCc1[nH]c(=O)c2ccsc2c1C
InChIInChI=1S/C9H9NOS/c1-5-6(2)10-9(11)7-3-4-12-8(5)7/h3-4H,1-2H3,(H,10,11)
InChIKeyDVXNSUVBBJZYHP-UHFFFAOYSA-N
XLogP2.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one (CID 134859835) is 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one is Cc1[nH]c(=O)c2ccsc2c1C.
What is the InChIKey of 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is DVXNSUVBBJZYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-6(2)10-9(11)7-3-4-12-8(5)7/h3-4H,1-2H3,(H,10,11).
What are the key properties of 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one?
6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 179.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 134859835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).