3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid

C11H15N3O4S — CID 65204605

IUPAC3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H15N3O4S/c1-6(2)7-8(19-14-13-7)9(15)12-11(10(16)17)3-4-18-5-11/h6H,3-5H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyJHXOQKHYRDXUAC-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.63
Rot. Bonds4

About 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid

3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 65204605) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID65204605
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H15N3O4S/c1-6(2)7-8(19-14-13-7)9(15)12-11(10(16)17)3-4-18-5-11/h6H,3-5H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyJHXOQKHYRDXUAC-UHFFFAOYSA-N
XLogP0.63
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid (CID 65204605) is 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid is CC(C)c1nnsc1C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JHXOQKHYRDXUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6(2)7-8(19-14-13-7)9(15)12-11(10(16)17)3-4-18-5-11/h6H,3-5H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 65204605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).