4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol

C10H18N2O2S — CID 105132854

IUPAC4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
SMILESCCCc1nnsc1C(O)CCCOC
InChIInChI=1S/C10H18N2O2S/c1-3-5-8-10(15-12-11-8)9(13)6-4-7-14-2/h9,13H,3-7H2,1-2H3
InChIKeyCPXBZSWAGFKJRI-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.95
Rot. Bonds7

About 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol

4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol (PubChem CID 105132854) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
PubChem CID105132854
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
SMILESCCCc1nnsc1C(O)CCCOC
InChIInChI=1S/C10H18N2O2S/c1-3-5-8-10(15-12-11-8)9(13)6-4-7-14-2/h9,13H,3-7H2,1-2H3
InChIKeyCPXBZSWAGFKJRI-UHFFFAOYSA-N
XLogP1.95
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
CID 105124752
2-propoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111972
2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111812
3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
CID 105089797
[1-(4-ethylthiadiazol-5-yl)-4-methoxybutyl]hydrazine
CID 105342583
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699
1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028249
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090310
(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
CID 105102916
2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105131314
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol?
The IUPAC name of 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol (CID 105132854) is 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol?
The canonical SMILES for 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol is CCCc1nnsc1C(O)CCCOC.
What is the InChIKey of 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol?
The InChIKey is CPXBZSWAGFKJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-5-8-10(15-12-11-8)9(13)6-4-7-14-2/h9,13H,3-7H2,1-2H3.
What are the key properties of 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol?
4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol has a molecular weight of 230.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol is sourced from PubChem (CID 105132854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).