4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid

C11H15N3O4S — CID 65204851

IUPAC4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4S/c1-6(2)8-9(19-13-12-8)10(15)14-3-4-18-7(5-14)11(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyFXQACGWZDIMQKQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.59
Rot. Bonds3

About 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid

4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 65204851) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID65204851
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4S/c1-6(2)8-9(19-13-12-8)10(15)14-3-4-18-7(5-14)11(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyFXQACGWZDIMQKQ-UHFFFAOYSA-N
XLogP0.59
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 81209564
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699
1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
CID 65204766
(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 103575855
3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65204553
(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 65204163
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 124681565
4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 65204507
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid (CID 65204851) is 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid is CC(C)c1nnsc1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is FXQACGWZDIMQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6(2)8-9(19-13-12-8)10(15)14-3-4-18-7(5-14)11(16)17/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid?
4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65204851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).