ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate

C16H13NO2S — CID 162519622

IUPACethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(-c2nccc3sccc23)cc1
InChIInChI=1S/C16H13NO2S/c1-2-19-16(18)12-5-3-11(4-6-12)15-13-8-10-20-14(13)7-9-17-15/h3-10H,2H2,1H3
InChIKeyLEJKLPYYOTULER-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.14
Rot. Bonds3

About ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate

ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate (PubChem CID 162519622) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
PubChem CID162519622
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Nameethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(-c2nccc3sccc23)cc1
InChIInChI=1S/C16H13NO2S/c1-2-19-16(18)12-5-3-11(4-6-12)15-13-8-10-20-14(13)7-9-17-15/h3-10H,2H2,1H3
InChIKeyLEJKLPYYOTULER-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-formyl-2-pyridinyl)benzoate
CID 57360940
ethyl 4-methoxy-1-benzothiophene-6-carboxylate
CID 11459009
4-(1-ethoxyethenyl)thieno[3,2-c]pyridine
CID 135337046
ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
CID 168938358
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-(2-chloropyrimidin-4-yl)benzoate
CID 11065261
ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate
CID 155051932
ethyl 3-amino-4-(1,3-thiazol-2-ylsulfanyl)benzoate
CID 61305432
methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 178134364
ethyl 4-chloro-1-benzothiophene-5-carboxylate
CID 23511308
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480

Frequently Asked Questions

What is the IUPAC name of ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate?
The IUPAC name of ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate (CID 162519622) is ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate.
What is the SMILES notation for ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate?
The canonical SMILES for ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate is CCOC(=O)c1ccc(-c2nccc3sccc23)cc1.
What is the InChIKey of ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate?
The InChIKey is LEJKLPYYOTULER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-19-16(18)12-5-3-11(4-6-12)15-13-8-10-20-14(13)7-9-17-15/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate?
ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate has a molecular weight of 283.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate is sourced from PubChem (CID 162519622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).