[2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol

C11H15N3O2S — CID 121311867

IUPAC[2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol
SMILESCC(C)(C)Cc1nnc(-c2nc(CO)cs2)o1
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)4-8-13-14-9(16-8)10-12-7(5-15)6-17-10/h6,15H,4-5H2,1-3H3
InChIKeyGFWRUPLSBTVGGJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.27
Rot. Bonds3

About [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol

[2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 121311867) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol
PubChem CID121311867
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name[2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol
SMILESCC(C)(C)Cc1nnc(-c2nc(CO)cs2)o1
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)4-8-13-14-9(16-8)10-12-7(5-15)6-17-10/h6,15H,4-5H2,1-3H3
InChIKeyGFWRUPLSBTVGGJ-UHFFFAOYSA-N
XLogP2.27
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol (CID 121311867) is [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol is CC(C)(C)Cc1nnc(-c2nc(CO)cs2)o1.
What is the InChIKey of [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is GFWRUPLSBTVGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,3)4-8-13-14-9(16-8)10-12-7(5-15)6-17-10/h6,15H,4-5H2,1-3H3.
What are the key properties of [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol?
[2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 253.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 121311867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).