2-methyl-5H-thieno[3,2-c]pyridin-4-one

C8H7NOS — CID 18176423

IUPAC2-methyl-5H-thieno[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)[nH]ccc2s1
InChIInChI=1S/C8H7NOS/c1-5-4-6-7(11-5)2-3-9-8(6)10/h2-4H,1H3,(H,9,10)
InChIKeyCZZYGMSEVJJFRE-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.90
Rot. Bonds

About 2-methyl-5H-thieno[3,2-c]pyridin-4-one

2-methyl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 18176423) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-methyl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID18176423
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2-methyl-5H-thieno[3,2-c]pyridin-4-one
SMILESCc1cc2c(=O)[nH]ccc2s1
InChIInChI=1S/C8H7NOS/c1-5-4-6-7(11-5)2-3-9-8(6)10/h2-4H,1H3,(H,9,10)
InChIKeyCZZYGMSEVJJFRE-UHFFFAOYSA-N
XLogP1.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-methyl-5H-thieno[3,2-c]pyridin-4-one (CID 18176423) is 2-methyl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-methyl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-methyl-5H-thieno[3,2-c]pyridin-4-one is Cc1cc2c(=O)[nH]ccc2s1.
What is the InChIKey of 2-methyl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is CZZYGMSEVJJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-5-4-6-7(11-5)2-3-9-8(6)10/h2-4H,1H3,(H,9,10).
What are the key properties of 2-methyl-5H-thieno[3,2-c]pyridin-4-one?
2-methyl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 165.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 18176423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).