methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate

C17H16N2O2S — CID 141247379

IUPACmethyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
SMILESCOC(=O)C(c1ccc(C#N)cc1)N1CCc2sccc2C1
InChIInChI=1S/C17H16N2O2S/c1-21-17(20)16(13-4-2-12(10-18)3-5-13)19-8-6-15-14(11-19)7-9-22-15/h2-5,7,9,16H,6,8,11H2,1H3
InChIKeyQFTQYALPWWRAOY-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate

methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate (PubChem CID 141247379) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
PubChem CID141247379
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Namemethyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
SMILESCOC(=O)C(c1ccc(C#N)cc1)N1CCc2sccc2C1
InChIInChI=1S/C17H16N2O2S/c1-21-17(20)16(13-4-2-12(10-18)3-5-13)19-8-6-15-14(11-19)7-9-22-15/h2-5,7,9,16H,6,8,11H2,1H3
InChIKeyQFTQYALPWWRAOY-UHFFFAOYSA-N
XLogP2.89
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridin-3-ylacetate
CID 97062459
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;propan-2-one
CID 69368303
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate phosphate
CID 66547197
ethoxyethane;methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 174665501
methyl (2S)-2-(2-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 144590393
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;naphthalene-1,5-disulfonic acid;hydrate
CID 46224497
bis(methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate);naphthalene-1,5-disulfonic acid;dihydrate
CID 164888929
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylacetamide
CID 97099110
deuteriomethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 141350312
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 18137919
ethyl hydrogen sulfate;methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 10388943

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate?
The IUPAC name of methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate (CID 141247379) is methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate?
The canonical SMILES for methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate is COC(=O)C(c1ccc(C#N)cc1)N1CCc2sccc2C1.
What is the InChIKey of methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate?
The InChIKey is QFTQYALPWWRAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-17(20)16(13-4-2-12(10-18)3-5-13)19-8-6-15-14(11-19)7-9-22-15/h2-5,7,9,16H,6,8,11H2,1H3.
What are the key properties of methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate?
methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate has a molecular weight of 312.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyanophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate is sourced from PubChem (CID 141247379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).