(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C16H18N2O2S — CID 81396467

IUPAC(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H18N2O2S/c1-2-20-13-5-3-4-12(17)15(13)16(19)18-8-6-14-11(10-18)7-9-21-14/h3-5,7,9H,2,6,8,10,17H2,1H3
InChIKeyYMOUFGAOMVJRIR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.93
Rot. Bonds3

About (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 81396467) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID81396467
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H18N2O2S/c1-2-20-13-5-3-4-12(17)15(13)16(19)18-8-6-14-11(10-18)7-9-21-14/h3-5,7,9H,2,6,8,10,17H2,1H3
InChIKeyYMOUFGAOMVJRIR-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(2-amino-6-ethoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81394683
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CID 102888141
(2-amino-6-ethoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420725
1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
CID 81393685
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81395801
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
(3-amino-5-methyl-1H-pyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43159417
(2-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62648438

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 81396467) is (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CCOc1cccc(N)c1C(=O)N1CCc2sccc2C1.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is YMOUFGAOMVJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-20-13-5-3-4-12(17)15(13)16(19)18-8-6-14-11(10-18)7-9-21-14/h3-5,7,9H,2,6,8,10,17H2,1H3.
What are the key properties of (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 81396467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).