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

C11H20N2OS — CID 105114699

IUPAC2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
SMILESCCCc1nnsc1C(O)C(CC)CC
InChIInChI=1S/C11H20N2OS/c1-4-7-9-11(15-13-12-9)10(14)8(5-2)6-3/h8,10,14H,4-7H2,1-3H3
InChIKeyUVILLYMPLIEULR-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.96
Rot. Bonds6

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

2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol (PubChem CID 105114699) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
PubChem CID105114699
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
SMILESCCCc1nnsc1C(O)C(CC)CC
InChIInChI=1S/C11H20N2OS/c1-4-7-9-11(15-13-12-9)10(14)8(5-2)6-3/h8,10,14H,4-7H2,1-3H3
InChIKeyUVILLYMPLIEULR-UHFFFAOYSA-N
XLogP2.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-(4-ethylthiadiazol-5-yl)butan-1-ol
CID 105114668
2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111812
2-propoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111972
3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
CID 105089797
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105132854
[2-methyl-1-(4-propylthiadiazol-5-yl)prop-2-enyl]hydrazine
CID 105320041
(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
CID 105102916
(4-propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
CID 105124752
1-(4-propylthiadiazol-5-yl)ethylhydrazine
CID 105282561
furan-2-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097375

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol (CID 105114699) is 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol is CCCc1nnsc1C(O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol?
The InChIKey is UVILLYMPLIEULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-7-9-11(15-13-12-9)10(14)8(5-2)6-3/h8,10,14H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol?
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol is sourced from PubChem (CID 105114699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).