1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol

C12H16N2OS2 — CID 105087179

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1cccs1
InChIInChI=1S/C12H16N2OS2/c1-12(2,3)11-10(17-14-13-11)9(15)7-8-5-4-6-16-8/h4-6,9,15H,7H2,1-3H3
InChIKeyMLAFUMREXOAZMW-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol

1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol (PubChem CID 105087179) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol
PubChem CID105087179
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1cccs1
InChIInChI=1S/C12H16N2OS2/c1-12(2,3)11-10(17-14-13-11)9(15)7-8-5-4-6-16-8/h4-6,9,15H,7H2,1-3H3
InChIKeyMLAFUMREXOAZMW-UHFFFAOYSA-N
XLogP3.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102842379
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842557
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Tert-butylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079978
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
2-(1-Benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105083301
2-(1-Benzothiophen-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105083304
2-(1-Benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105083332

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol (CID 105087179) is 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol is CC(C)(C)c1nnsc1C(O)Cc1cccs1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
The InChIKey is MLAFUMREXOAZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-12(2,3)11-10(17-14-13-11)9(15)7-8-5-4-6-16-8/h4-6,9,15H,7H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol has a molecular weight of 268.41 g/mol, XLogP of 3.17, 3 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-thiophen-2-ylethanol is sourced from PubChem (CID 105087179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).