2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol

C14H18N2O2S — CID 104952806

IUPAC2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol
SMILESCC(C)(C)c1nsc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)12-15-13(19-16-12)18-11-6-4-10(5-7-11)8-9-17/h4-7,17H,8-9H2,1-3H3
InChIKeyIPXXFTZBXHPFFL-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol

2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol (PubChem CID 104952806) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol
PubChem CID104952806
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol
SMILESCC(C)(C)c1nsc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)12-15-13(19-16-12)18-11-6-4-10(5-7-11)8-9-17/h4-7,17H,8-9H2,1-3H3
InChIKeyIPXXFTZBXHPFFL-UHFFFAOYSA-N
XLogP3.16
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol (CID 104952806) is 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol is CC(C)(C)c1nsc(Oc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol?
The InChIKey is IPXXFTZBXHPFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2,3)12-15-13(19-16-12)18-11-6-4-10(5-7-11)8-9-17/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol?
2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol has a molecular weight of 278.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol is sourced from PubChem (CID 104952806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).