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

C9H16N2O2S — CID 105111812

IUPAC2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)COCC
InChIInChI=1S/C9H16N2O2S/c1-3-5-7-9(14-11-10-7)8(12)6-13-4-2/h8,12H,3-6H2,1-2H3
InChIKeyFUPFGSDFMKBSHC-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.56
Rot. Bonds6

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

2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol (PubChem CID 105111812) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
PubChem CID105111812
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)COCC
InChIInChI=1S/C9H16N2O2S/c1-3-5-7-9(14-11-10-7)8(12)6-13-4-2/h8,12H,3-6H2,1-2H3
InChIKeyFUPFGSDFMKBSHC-UHFFFAOYSA-N
XLogP1.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol (CID 105111812) is 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol is CCCc1nnsc1C(O)COCC.
What is the InChIKey of 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol?
The InChIKey is FUPFGSDFMKBSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-5-7-9(14-11-10-7)8(12)6-13-4-2/h8,12H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol?
2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol has a molecular weight of 216.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105111812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).