2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

C8H8N4O4S — CID 65198741

IUPAC2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCc1nnsc1-c1nnc(COCC(=O)O)o1
InChIInChI=1S/C8H8N4O4S/c1-4-7(17-12-9-4)8-11-10-5(16-8)2-15-3-6(13)14/h2-3H2,1H3,(H,13,14)
InChIKeyVQDOLNBZJMEZSW-UHFFFAOYSA-N
MW256.24 g/mol
LogP0.50
Rot. Bonds5

About 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid

2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 65198741) has the molecular formula C8H8N4O4S and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID65198741
Molecular FormulaC8H8N4O4S
Molecular Weight256.24 g/mol
Exact Mass256.03
IUPAC Name2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESCc1nnsc1-c1nnc(COCC(=O)O)o1
InChIInChI=1S/C8H8N4O4S/c1-4-7(17-12-9-4)8-11-10-5(16-8)2-15-3-6(13)14/h2-3H2,1H3,(H,13,14)
InChIKeyVQDOLNBZJMEZSW-UHFFFAOYSA-N
XLogP0.50
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 65198741) is 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is Cc1nnsc1-c1nnc(COCC(=O)O)o1.
What is the InChIKey of 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is VQDOLNBZJMEZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4S/c1-4-7(17-12-9-4)8-11-10-5(16-8)2-15-3-6(13)14/h2-3H2,1H3,(H,13,14).
What are the key properties of 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 256.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 65198741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).