1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid

C13H16N4O2S — CID 79316642

IUPAC1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCC(c1cccs1)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C13H16N4O2S/c1-2-11(12-4-3-5-20-12)16-6-9(7-16)17-8-10(13(18)19)14-15-17/h3-5,8-9,11H,2,6-7H2,1H3,(H,18,19)
InChIKeyVWBYFUQEGSFSKR-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79316642) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79316642
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCC(c1cccs1)N1CC(n2cc(C(=O)O)nn2)C1
InChIInChI=1S/C13H16N4O2S/c1-2-11(12-4-3-5-20-12)16-6-9(7-16)17-8-10(13(18)19)14-15-17/h3-5,8-9,11H,2,6-7H2,1H3,(H,18,19)
InChIKeyVWBYFUQEGSFSKR-UHFFFAOYSA-N
XLogP2.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-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

1-[1-[1-(furan-2-yl)propyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79316721
1-[1-(2-amino-2-thiophen-2-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 115287483
1-[1-(1-amino-1-oxobutan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310444
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79311323
1-[1-(5-methylhexan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316563
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
CID 66202216
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-[1-(2-ethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308948
1-[1-(3-ethylsulfonylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311135

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79316642) is 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid is CCC(c1cccs1)N1CC(n2cc(C(=O)O)nn2)C1.
What is the InChIKey of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is VWBYFUQEGSFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-11(12-4-3-5-20-12)16-6-9(7-16)17-8-10(13(18)19)14-15-17/h3-5,8-9,11H,2,6-7H2,1H3,(H,18,19).
What are the key properties of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79316642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).