methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate

C18H17NO2S — CID 54096227

IUPACmethyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C)nc2sc(C)c(C)c2c1-c1ccccc1
InChIInChI=1S/C18H17NO2S/c1-10-12(3)22-17-14(10)16(13-8-6-5-7-9-13)15(11(2)19-17)18(20)21-4/h5-9H,1-4H3
InChIKeyNCBRUQHKPJLSRS-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.68
Rot. Bonds2

About methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate

methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 54096227) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
PubChem CID54096227
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Namemethyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(C)nc2sc(C)c(C)c2c1-c1ccccc1
InChIInChI=1S/C18H17NO2S/c1-10-12(3)22-17-14(10)16(13-8-6-5-7-9-13)15(11(2)19-17)18(20)21-4/h5-9H,1-4H3
InChIKeyNCBRUQHKPJLSRS-UHFFFAOYSA-N
XLogP4.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
CID 139216527
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone;1-(2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridin-5-yl)ethanone
CID 157425406
2-methoxyethyl 2-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
CID 8966730
2-[2,3,6-trimethyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]propanoic acid
CID 66603747
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid
CID 174688766
2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 71891224
methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate (CID 54096227) is methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate is COC(=O)c1c(C)nc2sc(C)c(C)c2c1-c1ccccc1.
What is the InChIKey of methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is NCBRUQHKPJLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-10-12(3)22-17-14(10)16(13-8-6-5-7-9-13)15(11(2)19-17)18(20)21-4/h5-9H,1-4H3.
What are the key properties of methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?
methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 54096227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).