2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol

C13H18N2OS2 — CID 105087715

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccc(CC)s1
InChIInChI=1S/C13H18N2OS2/c1-3-5-11-13(18-15-14-11)12(16)8-10-7-6-9(4-2)17-10/h6-7,12,16H,3-5,8H2,1-2H3
InChIKeyOIYFDZWOIOWPQQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.39
Rot. Bonds6

About 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol

2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol (PubChem CID 105087715) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol
PubChem CID105087715
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccc(CC)s1
InChIInChI=1S/C13H18N2OS2/c1-3-5-11-13(18-15-14-11)12(16)8-10-7-6-9(4-2)17-10/h6-7,12,16H,3-5,8H2,1-2H3
InChIKeyOIYFDZWOIOWPQQ-UHFFFAOYSA-N
XLogP3.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.39
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-propylthiadiazol-5-yl)ethanol
CID 105083334
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(Thiadiazol-4-yl)-2-thiophen-2-ylethanol
CID 105087160

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol (CID 105087715) is 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol is CCCc1nnsc1C(O)Cc1ccc(CC)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The InChIKey is OIYFDZWOIOWPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-3-5-11-13(18-15-14-11)12(16)8-10-7-6-9(4-2)17-10/h6-7,12,16H,3-5,8H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol has a molecular weight of 282.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105087715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).