1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid

C9H11N3O4S — CID 106382752

IUPAC1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C9H11N3O4S/c13-7(14)5-2-12(3-5)8(15)10-1-6-4-17-9(16)11-6/h4-5H,1-3H2,(H,10,15)(H,11,16)(H,13,14)
InChIKeyHOQUVOLUJWWSAE-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.34
Rot. Bonds3

About 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid

1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid (PubChem CID 106382752) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid
PubChem CID106382752
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C9H11N3O4S/c13-7(14)5-2-12(3-5)8(15)10-1-6-4-17-9(16)11-6/h4-5H,1-3H2,(H,10,15)(H,11,16)(H,13,14)
InChIKeyHOQUVOLUJWWSAE-UHFFFAOYSA-N
XLogP-0.34
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid (CID 106382752) is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid?
The InChIKey is HOQUVOLUJWWSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c13-7(14)5-2-12(3-5)8(15)10-1-6-4-17-9(16)11-6/h4-5H,1-3H2,(H,10,15)(H,11,16)(H,13,14).
What are the key properties of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid?
1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 106382752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).