1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol

C11H20N2O2S — CID 103028249

IUPAC1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCc1nnsc1C(O)CCC(C)(C)OC
InChIInChI=1S/C11H20N2O2S/c1-5-8-10(16-13-12-8)9(14)6-7-11(2,3)15-4/h9,14H,5-7H2,1-4H3
InChIKeyVYODFIXDHYJBDG-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.34
Rot. Bonds6

About 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol

1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028249) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028249
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCc1nnsc1C(O)CCC(C)(C)OC
InChIInChI=1S/C11H20N2O2S/c1-5-8-10(16-13-12-8)9(14)6-7-11(2,3)15-4/h9,14H,5-7H2,1-4H3
InChIKeyVYODFIXDHYJBDG-UHFFFAOYSA-N
XLogP2.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026396
4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105132854
4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
CID 103028152
1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027994
2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol
CID 105114668
4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one
CID 103024495
2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672
1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101035
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
2-(5-chloro-2-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105089389

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol (CID 103028249) is 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol is CCc1nnsc1C(O)CCC(C)(C)OC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is VYODFIXDHYJBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-5-8-10(16-13-12-8)9(14)6-7-11(2,3)15-4/h9,14H,5-7H2,1-4H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol?
1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 244.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).