2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol

C10H18N2OS — CID 105114668

IUPAC2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol
SMILESCCc1nnsc1C(O)C(CC)CC
InChIInChI=1S/C10H18N2OS/c1-4-7(5-2)9(13)10-8(6-3)11-12-14-10/h7,9,13H,4-6H2,1-3H3
InChIKeyRBNGADFELQQLCI-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.57
Rot. Bonds5

About 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol

2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol (PubChem CID 105114668) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol
PubChem CID105114668
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol
SMILESCCc1nnsc1C(O)C(CC)CC
InChIInChI=1S/C10H18N2OS/c1-4-7(5-2)9(13)10-8(6-3)11-12-14-10/h7,9,13H,4-6H2,1-3H3
InChIKeyRBNGADFELQQLCI-UHFFFAOYSA-N
XLogP2.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699
[1-(4-ethylthiadiazol-5-yl)-2-methylprop-2-enyl]hydrazine
CID 105320168
[1-(4-ethylthiadiazol-5-yl)-2-methylbutyl]hydrazine
CID 105325816
1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101035
2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672
(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methanol
CID 105097477
(4-ethylthiadiazol-5-yl)-(furan-2-yl)methanol
CID 105097357
(4-ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028249
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
(4-ethylthiadiazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080937
1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol (CID 105114668) is 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol is CCc1nnsc1C(O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol?
The InChIKey is RBNGADFELQQLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-7(5-2)9(13)10-8(6-3)11-12-14-10/h7,9,13H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol?
2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol is sourced from PubChem (CID 105114668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).