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

C12H20N2O2S — CID 105090310

IUPAC2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)CC1CCOCC1
InChIInChI=1S/C12H20N2O2S/c1-2-3-10-12(17-14-13-10)11(15)8-9-4-6-16-7-5-9/h9,11,15H,2-8H2,1H3
InChIKeyPMHRWVFXFGAURX-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.34
Rot. Bonds5

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

2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol (PubChem CID 105090310) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
PubChem CID105090310
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)CC1CCOCC1
InChIInChI=1S/C12H20N2O2S/c1-2-3-10-12(17-14-13-10)11(15)8-9-4-6-16-7-5-9/h9,11,15H,2-8H2,1H3
InChIKeyPMHRWVFXFGAURX-UHFFFAOYSA-N
XLogP2.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111812
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105157142
2-propoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111972
3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
CID 105089797
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147324
4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105132854
1-(4-ethylthiadiazol-5-yl)-2-(oxan-4-yl)ethanone
CID 105092076
1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625
2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
CID 62608022

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol (CID 105090310) is 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol is CCCc1nnsc1C(O)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The InChIKey is PMHRWVFXFGAURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-3-10-12(17-14-13-10)11(15)8-9-4-6-16-7-5-9/h9,11,15H,2-8H2,1H3.
What are the key properties of 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol has a molecular weight of 256.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105090310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).