3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol

C12H22N2OS — CID 105089797

IUPAC3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
SMILESCCCc1nnsc1C(O)CC(C)CCC
InChIInChI=1S/C12H22N2OS/c1-4-6-9(3)8-11(15)12-10(7-5-2)13-14-16-12/h9,11,15H,4-8H2,1-3H3
InChIKeyKQTKAMOSSHDDHJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.35
Rot. Bonds7

About 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol

3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol (PubChem CID 105089797) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
PubChem CID105089797
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
SMILESCCCc1nnsc1C(O)CC(C)CCC
InChIInChI=1S/C12H22N2OS/c1-4-6-9(3)8-11(15)12-10(7-5-2)13-14-16-12/h9,11,15H,4-8H2,1-3H3
InChIKeyKQTKAMOSSHDDHJ-UHFFFAOYSA-N
XLogP3.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(4-propylthiadiazol-5-yl)hexyl]hydrazine
CID 105298123
4-methoxy-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105132854
2-ethoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111812
1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
CID 105124752
2-propoxy-1-(4-propylthiadiazol-5-yl)ethanol
CID 105111972
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090310
2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105103422
1-(4-propylthiadiazol-5-yl)ethylhydrazine
CID 105282561
furan-2-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097375
(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
CID 105102916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol?
The IUPAC name of 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol (CID 105089797) is 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol.
What is the SMILES notation for 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol?
The canonical SMILES for 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol is CCCc1nnsc1C(O)CC(C)CCC.
What is the InChIKey of 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol?
The InChIKey is KQTKAMOSSHDDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-6-9(3)8-11(15)12-10(7-5-2)13-14-16-12/h9,11,15H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol?
3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol is sourced from PubChem (CID 105089797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).