3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid

C13H14N2O2S — CID 66031975

IUPAC3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2nccc3sccc23)C1
InChIInChI=1S/C13H14N2O2S/c16-13(17)8-1-2-9(7-8)15-12-10-4-6-18-11(10)3-5-14-12/h3-6,8-9H,1-2,7H2,(H,14,15)(H,16,17)
InChIKeyCLNHTIRTQQSIOI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.96
Rot. Bonds3

About 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid

3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 66031975) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
PubChem CID66031975
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2nccc3sccc23)C1
InChIInChI=1S/C13H14N2O2S/c16-13(17)8-1-2-9(7-8)15-12-10-4-6-18-11(10)3-5-14-12/h3-6,8-9H,1-2,7H2,(H,14,15)(H,16,17)
InChIKeyCLNHTIRTQQSIOI-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216542
N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine
CID 43522721
N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine
CID 47054056
N-(2-propylcyclopropyl)thieno[3,2-c]pyridin-4-amine
CID 103710911
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
N-cyclopropyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 163345555
N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine
CID 114695478
N-(5-azaspiro[3.5]nonan-8-yl)thieno[3,2-c]pyridin-4-amine
CID 43599441
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine
CID 82760789
3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 70983767
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106124235

Frequently Asked Questions

What is the IUPAC name of 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid (CID 66031975) is 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(Nc2nccc3sccc23)C1.
What is the InChIKey of 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CLNHTIRTQQSIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(17)8-1-2-9(7-8)15-12-10-4-6-18-11(10)3-5-14-12/h3-6,8-9H,1-2,7H2,(H,14,15)(H,16,17).
What are the key properties of 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).