2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol

C15H16N2OS2 — CID 105083334

IUPAC2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C15H16N2OS2/c1-2-5-12-15(20-17-16-12)13(18)8-10-9-19-14-7-4-3-6-11(10)14/h3-4,6-7,9,13,18H,2,5,8H2,1H3
InChIKeyMDOHMSVFURPLTK-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.98
Rot. Bonds5

About 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol (PubChem CID 105083334) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
PubChem CID105083334
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C15H16N2OS2/c1-2-5-12-15(20-17-16-12)13(18)8-10-9-19-14-7-4-3-6-11(10)14/h3-4,6-7,9,13,18H,2,5,8H2,1H3
InChIKeyMDOHMSVFURPLTK-UHFFFAOYSA-N
XLogP3.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.98
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-(thiadiazol-5-yl)ethanol
CID 105083324

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol (CID 105083334) is 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol is CCCc1nnsc1C(O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The InChIKey is MDOHMSVFURPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-2-5-12-15(20-17-16-12)13(18)8-10-9-19-14-7-4-3-6-11(10)14/h3-4,6-7,9,13,18H,2,5,8H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol has a molecular weight of 304.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105083334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).