1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol

C15H20N2O2S — CID 105087087

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)14-13(20-17-16-14)12(18)9-10-6-5-7-11(8-10)19-4/h5-8,12,18H,9H2,1-4H3
InChIKeyGBKSEODZSMBTJU-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol

1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol (PubChem CID 105087087) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
PubChem CID105087087
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2snnc2C(C)(C)C)c1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)14-13(20-17-16-14)12(18)9-10-6-5-7-11(8-10)19-4/h5-8,12,18H,9H2,1-4H3
InChIKeyGBKSEODZSMBTJU-UHFFFAOYSA-N
XLogP3.12
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
CID 105076907
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
1-(3-methoxyphenyl)-3-methylpentane-2,3-diol
CID 103448604
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol (CID 105087087) is 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2snnc2C(C)(C)C)c1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is GBKSEODZSMBTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(2,3)14-13(20-17-16-14)12(18)9-10-6-5-7-11(8-10)19-4/h5-8,12,18H,9H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol has a molecular weight of 292.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 105087087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).