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

C13H12N2O2S — CID 79216542

IUPAC4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(Nc2nccc3sccc23)C1
InChIInChI=1S/C13H12N2O2S/c16-13(17)8-1-2-9(7-8)15-12-10-4-6-18-11(10)3-5-14-12/h1-6,8-9H,7H2,(H,14,15)(H,16,17)
InChIKeyMBEDTFGRQPNOFW-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.74
Rot. Bonds3

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

4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216542) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216542
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(Nc2nccc3sccc23)C1
InChIInChI=1S/C13H12N2O2S/c16-13(17)8-1-2-9(7-8)15-12-10-4-6-18-11(10)3-5-14-12/h1-6,8-9H,7H2,(H,14,15)(H,16,17)
InChIKeyMBEDTFGRQPNOFW-UHFFFAOYSA-N
XLogP2.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
CID 66031975
N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine
CID 43522721
4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215952
N-(2-propylcyclopropyl)thieno[3,2-c]pyridin-4-amine
CID 103710911
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209011
N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine
CID 47054056
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 114326766
N-methyl-2-(thieno[3,2-c]pyridin-4-ylamino)acetamide
CID 43522799
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216837
[1-[(thieno[3,2-c]pyridin-4-ylamino)methyl]cyclohexyl]methanol
CID 112697561
N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine
CID 114695478
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106124235

Frequently Asked Questions

What is the IUPAC name of 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216542) is 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(Nc2nccc3sccc23)C1.
What is the InChIKey of 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is MBEDTFGRQPNOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-13(17)8-1-2-9(7-8)15-12-10-4-6-18-11(10)3-5-14-12/h1-6,8-9H,7H2,(H,14,15)(H,16,17).
What are the key properties of 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid?
4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).