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

C10H15N3O3S — CID 65270302

IUPAC4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCC(C)c1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C10H15N3O3S/c1-6(2)8-11-10(17-12-8)13-3-4-16-7(5-13)9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyNNNJRRVKTCMABS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.95
Rot. Bonds3

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

4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (PubChem CID 65270302) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
PubChem CID65270302
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid
SMILESCC(C)c1nsc(N2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C10H15N3O3S/c1-6(2)8-11-10(17-12-8)13-3-4-16-7(5-13)9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyNNNJRRVKTCMABS-UHFFFAOYSA-N
XLogP0.95
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid (CID 65270302) is 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is CC(C)c1nsc(N2CCOC(C(=O)O)C2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
The InChIKey is NNNJRRVKTCMABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(2)8-11-10(17-12-8)13-3-4-16-7(5-13)9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid?
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65270302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).