2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C11H7N3O3S — CID 136813506

IUPAC2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(-c2cscn2)no1
InChIInChI=1S/C11H7N3O3S/c15-7-2-1-3-8(16)9(7)11-13-10(14-17-11)6-4-18-5-12-6/h1-5,15-16H
InChIKeyZCGIMNHERPNUIZ-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.27
Rot. Bonds2

About 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136813506) has the molecular formula C11H7N3O3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136813506
Molecular FormulaC11H7N3O3S
Molecular Weight261.26 g/mol
Exact Mass261.02
IUPAC Name2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1cccc(O)c1-c1nc(-c2cscn2)no1
InChIInChI=1S/C11H7N3O3S/c15-7-2-1-3-8(16)9(7)11-13-10(14-17-11)6-4-18-5-12-6/h1-5,15-16H
InChIKeyZCGIMNHERPNUIZ-UHFFFAOYSA-N
XLogP2.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 63024100
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813576
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
3-methyl-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525960
1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162188
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096272
2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136930256
3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950349
3-fluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789984
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-ol
CID 135429338

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136813506) is 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1cccc(O)c1-c1nc(-c2cscn2)no1.
What is the InChIKey of 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is ZCGIMNHERPNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3S/c15-7-2-1-3-8(16)9(7)11-13-10(14-17-11)6-4-18-5-12-6/h1-5,15-16H.
What are the key properties of 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 261.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136813506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).