1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol

C15H20N2OS — CID 105078113

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H20N2OS/c1-10-7-5-6-8-11(10)9-12(18)13-14(15(2,3)4)16-17-19-13/h5-8,12,18H,9H2,1-4H3
InChIKeyCANWPIYVJKMGJO-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.42
Rot. Bonds3

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

1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol (PubChem CID 105078113) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
PubChem CID105078113
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H20N2OS/c1-10-7-5-6-8-11(10)9-12(18)13-14(15(2,3)4)16-17-19-13/h5-8,12,18H,9H2,1-4H3
InChIKeyCANWPIYVJKMGJO-UHFFFAOYSA-N
XLogP3.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 105087087
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine
CID 105283999
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 106274403
[2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105285141
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340927

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol (CID 105078113) is 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is CANWPIYVJKMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-7-5-6-8-11(10)9-12(18)13-14(15(2,3)4)16-17-19-13/h5-8,12,18H,9H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 276.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 105078113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).