4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid

C10H15N3O3S — CID 65270301

IUPAC4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCCCc1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C10H15N3O3S/c1-2-3-8-11-10(17-12-8)13-4-5-16-7(6-13)9(14)15/h7H,2-6H2,1H3,(H,14,15)
InChIKeyUTGWHXKBXNTQCD-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.78
Rot. Bonds4

About 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid

4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (PubChem CID 65270301) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
PubChem CID65270301
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCCCc1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C10H15N3O3S/c1-2-3-8-11-10(17-12-8)13-4-5-16-7(6-13)9(14)15/h7H,2-6H2,1H3,(H,14,15)
InChIKeyUTGWHXKBXNTQCD-UHFFFAOYSA-N
XLogP0.78
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-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 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (CID 65270301) is 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is CCCc1nsc(N2CCOC(C(=O)O)C2)n1.
What is the InChIKey of 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The InChIKey is UTGWHXKBXNTQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-3-8-11-10(17-12-8)13-4-5-16-7(6-13)9(14)15/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65270301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).