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

C7H6N4O4S — CID 65216400

IUPAC2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2csnn2)o1
InChIInChI=1S/C7H6N4O4S/c12-6(13)2-14-1-5-9-10-7(15-5)4-3-16-11-8-4/h3H,1-2H2,(H,12,13)
InChIKeyRYNQEYGGRCUHMJ-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.19
Rot. Bonds5

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

2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (PubChem CID 65216400) has the molecular formula C7H6N4O4S and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
PubChem CID65216400
Molecular FormulaC7H6N4O4S
Molecular Weight242.22 g/mol
Exact Mass242.01
IUPAC Name2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1nnc(-c2csnn2)o1
InChIInChI=1S/C7H6N4O4S/c12-6(13)2-14-1-5-9-10-7(15-5)4-3-16-11-8-4/h3H,1-2H2,(H,12,13)
InChIKeyRYNQEYGGRCUHMJ-UHFFFAOYSA-N
XLogP0.19
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65198741
2-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 106855287
2-[[5-(1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 135969087
2-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327899
2-[[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 63798602
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 65216105
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61329835
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61327335
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 79749471
2-[[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81105481
2-[[5-(6-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 136710745
2-[[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 114103591

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid (CID 65216400) is 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is O=C(O)COCc1nnc(-c2csnn2)o1.
What is the InChIKey of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
The InChIKey is RYNQEYGGRCUHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4S/c12-6(13)2-14-1-5-9-10-7(15-5)4-3-16-11-8-4/h3H,1-2H2,(H,12,13).
What are the key properties of 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid?
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid has a molecular weight of 242.22 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid is sourced from PubChem (CID 65216400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).