6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C15H18N2O2S — CID 165142904

IUPAC6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESC=C/N=C/C(=C\C)CN1CCc2c(C(=O)O)csc2C1
InChIInChI=1S/C15H18N2O2S/c1-3-11(7-16-4-2)8-17-6-5-12-13(15(18)19)10-20-14(12)9-17/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,19)/b11-3+,16-7+
InChIKeyWOFRRJVJXYOZQK-IZQHMAPUSA-N
MW290.39 g/mol
LogP2.96
Rot. Bonds5

About 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 165142904) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID165142904
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESC=C/N=C/C(=C\C)CN1CCc2c(C(=O)O)csc2C1
InChIInChI=1S/C15H18N2O2S/c1-3-11(7-16-4-2)8-17-6-5-12-13(15(18)19)10-20-14(12)9-17/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,19)/b11-3+,16-7+
InChIKeyWOFRRJVJXYOZQK-IZQHMAPUSA-N
XLogP2.96
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride
CID 82341872
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
N-butan-2-yl-N-but-2-enyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171134446
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 29412625
N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795787
methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 106821212
1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 165143241
N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118781147
N-[(E)-1-amino-4,4-dimethylpent-2-enylidene]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143125
4-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 83234010
(Z)-1-(3-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-(2-methylidene-1-pyridinyl)but-2-en-1-one
CID 165143740
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794354

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 165142904) is 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is C=C/N=C/C(=C\C)CN1CCc2c(C(=O)O)csc2C1.
What is the InChIKey of 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is WOFRRJVJXYOZQK-IZQHMAPUSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-11(7-16-4-2)8-17-6-5-12-13(15(18)19)10-20-14(12)9-17/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,18,19)/b11-3+,16-7+.
What are the key properties of 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(ethenyliminomethyl)but-2-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 165142904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).