5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C16H16FNO2S — CID 65071713

IUPAC5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1cc(CN2CCc3sccc3C2C(=O)O)ccc1F
InChIInChI=1S/C16H16FNO2S/c1-10-8-11(2-3-13(10)17)9-18-6-4-14-12(5-7-21-14)15(18)16(19)20/h2-3,5,7-8,15H,4,6,9H2,1H3,(H,19,20)
InChIKeySJUJJHMKLXUPOR-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.38
Rot. Bonds3

About 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 65071713) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID65071713
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1cc(CN2CCc3sccc3C2C(=O)O)ccc1F
InChIInChI=1S/C16H16FNO2S/c1-10-8-11(2-3-13(10)17)9-18-6-4-14-12(5-7-21-14)15(18)16(19)20/h2-3,5,7-8,15H,4,6,9H2,1H3,(H,19,20)
InChIKeySJUJJHMKLXUPOR-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,5-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65316699
5-[(5-nitrothiophen-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65071912
5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072315
5-[(Z)-3-chloro-2-methylprop-2-enyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 106439237
1-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382615
5-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 116616773
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909
5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62627341
5-(2-cyano-3,3,3-trifluoropropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103371525
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 65071713) is 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is Cc1cc(CN2CCc3sccc3C2C(=O)O)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is SJUJJHMKLXUPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-10-8-11(2-3-13(10)17)9-18-6-4-14-12(5-7-21-14)15(18)16(19)20/h2-3,5,7-8,15H,4,6,9H2,1H3,(H,19,20).
What are the key properties of 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 65071713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).