6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine

C14H14N2S — CID 55158039

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine
SMILES[H]/N=C(\c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C14H14N2S/c15-14(11-4-2-1-3-5-11)16-8-6-13-12(10-16)7-9-17-13/h1-5,7,9,15H,6,8,10H2/b15-14+
InChIKeyVZQBLXHLRJBNLX-CCEZHUSRSA-N
MW242.35 g/mol
LogP3.13
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine (PubChem CID 55158039) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine
PubChem CID55158039
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine
SMILES[H]/N=C(\c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C14H14N2S/c15-14(11-4-2-1-3-5-11)16-8-6-13-12(10-16)7-9-17-13/h1-5,7,9,15H,6,8,10H2/b15-14+
InChIKeyVZQBLXHLRJBNLX-CCEZHUSRSA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-2-phenylethanone
CID 111432209
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-3-phenylpentan-1-one
CID 146123854
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-1-phenylpropan-1-one
CID 62614127
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-3-phenylbutan-1-one
CID 110024514
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenylphenoxy)propan-1-one
CID 55607981
N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 42469480
(1-benzylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470460
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide
CID 41265423

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine (CID 55158039) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine is [H]/N=C(\c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine?
The InChIKey is VZQBLXHLRJBNLX-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H14N2S/c15-14(11-4-2-1-3-5-11)16-8-6-13-12(10-16)7-9-17-13/h1-5,7,9,15H,6,8,10H2/b15-14+.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine has a molecular weight of 242.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(phenyl)methanimine is sourced from PubChem (CID 55158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).