methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C15H15NO2S — CID 106821212

IUPACmethyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c1CCN(c1ccccc1)C2
InChIInChI=1S/C15H15NO2S/c1-18-15(17)13-10-19-14-9-16(8-7-12(13)14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyUJNIFLCYIIQAHZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.10
Rot. Bonds2

About methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 106821212) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID106821212
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Namemethyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c1CCN(c1ccccc1)C2
InChIInChI=1S/C15H15NO2S/c1-18-15(17)13-10-19-14-9-16(8-7-12(13)14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyUJNIFLCYIIQAHZ-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate
CID 114748196
methyl 2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate
CID 6987031
methyl 2-amino-3-(4-phenylpiperazin-1-yl)benzoate
CID 170180022
methyl 6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748207
6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride
CID 82341872
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
[4-(4-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 4601639
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414
methyl 5-ethyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
CID 19654364
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophene-2-carboxylate
CID 103420034
methyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19654367

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 106821212) is methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1csc2c1CCN(c1ccccc1)C2.
What is the InChIKey of methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is UJNIFLCYIIQAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-15(17)13-10-19-14-9-16(8-7-12(13)14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 273.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 106821212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).