2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride

C18H18ClNO3S — CID 71891224

IUPAC2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
SMILESCOCCOC(=O)c1c(C)nc2sccc2c1-c1ccccc1.Cl
InChIInChI=1S/C18H17NO3S.ClH/c1-12-15(18(20)22-10-9-21-2)16(13-6-4-3-5-7-13)14-8-11-23-17(14)19-12;/h3-8,11H,9-10H2,1-2H3;1H
InChIKeyJVADGLILFNEWAK-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.50
Rot. Bonds5

About 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride

2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride (PubChem CID 71891224) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
PubChem CID71891224
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
SMILESCOCCOC(=O)c1c(C)nc2sccc2c1-c1ccccc1.Cl
InChIInChI=1S/C18H17NO3S.ClH/c1-12-15(18(20)22-10-9-21-2)16(13-6-4-3-5-7-13)14-8-11-23-17(14)19-12;/h3-8,11H,9-10H2,1-2H3;1H
InChIKeyJVADGLILFNEWAK-UHFFFAOYSA-N
XLogP4.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
Methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 2838748
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Methyl 3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 949348
ethyl 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
CID 712868
Ethyl 5-cyano-2-methyl-6-(methylsulfanyl)-4-phenylpyridine-3-carboxylate
CID 2332950
Dimethyl 2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate
CID 714649
Ethenyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 691782
Methyl 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 613092
2,7,9-trimethyl-4H-pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one
CID 682263
Methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 689249

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
The IUPAC name of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride (CID 71891224) is 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride is COCCOC(=O)c1c(C)nc2sccc2c1-c1ccccc1.Cl.
What is the InChIKey of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
The InChIKey is JVADGLILFNEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S.ClH/c1-12-15(18(20)22-10-9-21-2)16(13-6-4-3-5-7-13)14-8-11-23-17(14)19-12;/h3-8,11H,9-10H2,1-2H3;1H.
What are the key properties of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 71891224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).