4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol

C18H18N2O3S — CID 44590709

IUPAC4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol
SMILESCCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-11-9-14(16(22)10-15(11)21)17-18(24-20-19-17)12-5-7-13(8-6-12)23-4-2/h5-10,21-22H,3-4H2,1-2H3
InChIKeyDUXCVYIPXRRATG-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.24
Rot. Bonds5

About 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol

4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol (PubChem CID 44590709) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol
PubChem CID44590709
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol
SMILESCCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-11-9-14(16(22)10-15(11)21)17-18(24-20-19-17)12-5-7-13(8-6-12)23-4-2/h5-10,21-22H,3-4H2,1-2H3
InChIKeyDUXCVYIPXRRATG-UHFFFAOYSA-N
XLogP4.24
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol?
The IUPAC name of 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol (CID 44590709) is 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol is CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol?
The InChIKey is DUXCVYIPXRRATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-11-9-14(16(22)10-15(11)21)17-18(24-20-19-17)12-5-7-13(8-6-12)23-4-2/h5-10,21-22H,3-4H2,1-2H3.
What are the key properties of 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol?
4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol has a molecular weight of 342.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)thiadiazol-4-yl]-6-ethylbenzene-1,3-diol is sourced from PubChem (CID 44590709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).