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

C14H19NO2S — CID 77102405

IUPACmethyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate
SMILESCCC(=CCN1CCc2sccc2C1)C(=O)OC
InChIInChI=1S/C14H19NO2S/c1-3-11(14(16)17-2)4-7-15-8-5-13-12(10-15)6-9-18-13/h4,6,9H,3,5,7-8,10H2,1-2H3
InChIKeyACZFNNQFODBKKF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.62
Rot. Bonds4

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

methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate (PubChem CID 77102405) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate
PubChem CID77102405
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Namemethyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate
SMILESCCC(=CCN1CCc2sccc2C1)C(=O)OC
InChIInChI=1S/C14H19NO2S/c1-3-11(14(16)17-2)4-7-15-8-5-13-12(10-15)6-9-18-13/h4,6,9H,3,5,7-8,10H2,1-2H3
InChIKeyACZFNNQFODBKKF-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate 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

(E)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)but-2-enoic acid
CID 62344122
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
methyl 2-ethyl-4-(4-methyl-3-oxo-1,4-diazepan-1-yl)but-2-enoate
CID 102889480
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
CID 60569410
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethoxypropan-2-ol
CID 63931900
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137887
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-1-phenylpropan-1-one
CID 62614127

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate (CID 77102405) is methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate is CCC(=CCN1CCc2sccc2C1)C(=O)OC.
What is the InChIKey of methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate?
The InChIKey is ACZFNNQFODBKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-11(14(16)17-2)4-7-15-8-5-13-12(10-15)6-9-18-13/h4,6,9H,3,5,7-8,10H2,1-2H3.
What are the key properties of methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate?
methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate has a molecular weight of 265.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbut-2-enoate is sourced from PubChem (CID 77102405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).