3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid

C19H16N2O2S — CID 122582049

IUPAC3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc2c(-c3ccc(C#N)cc3)cncc2s1)C(=O)O
InChIInChI=1S/C19H16N2O2S/c1-19(2,18(22)23)8-14-7-15-16(10-21-11-17(15)24-14)13-5-3-12(9-20)4-6-13/h3-7,10-11H,8H2,1-2H3,(H,22,23)
InChIKeyQWCZAFGDQBUAFT-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.49
Rot. Bonds4

About 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid

3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid (PubChem CID 122582049) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid
PubChem CID122582049
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc2c(-c3ccc(C#N)cc3)cncc2s1)C(=O)O
InChIInChI=1S/C19H16N2O2S/c1-19(2,18(22)23)8-14-7-15-16(10-21-11-17(15)24-14)13-5-3-12(9-20)4-6-13/h3-7,10-11H,8H2,1-2H3,(H,22,23)
InChIKeyQWCZAFGDQBUAFT-UHFFFAOYSA-N
XLogP4.49
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
2-[2-Methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid
CID 71526738
7-Benzo[b]thiophen-2-yl-7-pyridin-3-yl-hept-6-enoic acid
CID 13285851
3-[7-(4-Cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-yl]-butyric Acid
CID 122582079
3-[7-(4-Cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propionic acid
CID 122582081
3-[7-(4-Cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropionic Acid
CID 122582144
(3R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid
CID 122582147
(3S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid
CID 122582148
3-[4-[(4-Cyanonaphthalen-1-yl)thieno[2,3-c]pyridine-2-yl]propionic acid
CID 122582175
3-[7-(4-Cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropionic Acid
CID 122582177
3-[4-(4-Cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-3-hydroxyl butyric Acid
CID 122582184
3-[4-(4-Cyanonaphthalen-1-yl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethyl propionic Acid
CID 122582185

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid (CID 122582049) is 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid is CC(C)(Cc1cc2c(-c3ccc(C#N)cc3)cncc2s1)C(=O)O.
What is the InChIKey of 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid?
The InChIKey is QWCZAFGDQBUAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-19(2,18(22)23)8-14-7-15-16(10-21-11-17(15)24-14)13-5-3-12(9-20)4-6-13/h3-7,10-11H,8H2,1-2H3,(H,22,23).
What are the key properties of 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid?
3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid has a molecular weight of 336.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyanophenyl)thieno[2,3-c]pyridin-2-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 122582049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).