(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C16H17NO2S — CID 60701291

IUPAC(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCc3sccc3C2C)c1
InChIInChI=1S/C16H17NO2S/c1-10-3-4-14(18)13(9-10)16(19)17-7-5-15-12(11(17)2)6-8-20-15/h3-4,6,8-9,11,18H,5,7H2,1-2H3
InChIKeyLTAOCNDOCJIGKX-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.52
Rot. Bonds1

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

(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 60701291) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID60701291
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCc3sccc3C2C)c1
InChIInChI=1S/C16H17NO2S/c1-10-3-4-14(18)13(9-10)16(19)17-7-5-15-12(11(17)2)6-8-20-15/h3-4,6,8-9,11,18H,5,7H2,1-2H3
InChIKeyLTAOCNDOCJIGKX-UHFFFAOYSA-N
XLogP3.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107026700
(2,4-dibromophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107952195
(5-bromo-2-iodophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103604025
(2-bromo-4-chlorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107988209
(2-amino-4-chlorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61140438
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
(3-iodophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8948818
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 42937974

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 60701291) is (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is Cc1ccc(O)c(C(=O)N2CCc3sccc3C2C)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is LTAOCNDOCJIGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-10-3-4-14(18)13(9-10)16(19)17-7-5-15-12(11(17)2)6-8-20-15/h3-4,6,8-9,11,18H,5,7H2,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 287.38 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 60701291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).