2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol

C8H14N2OS — CID 65273535

IUPAC2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol
SMILESCCC(O)C(C)c1nc(C)ns1
InChIInChI=1S/C8H14N2OS/c1-4-7(11)5(2)8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3
InChIKeyGDEABWXGACCKMI-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.72
Rot. Bonds3

About 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol

2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol (PubChem CID 65273535) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol
PubChem CID65273535
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol
SMILESCCC(O)C(C)c1nc(C)ns1
InChIInChI=1S/C8H14N2OS/c1-4-7(11)5(2)8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3
InChIKeyGDEABWXGACCKMI-UHFFFAOYSA-N
XLogP1.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol?
The IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol (CID 65273535) is 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol.
What is the SMILES notation for 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol?
The canonical SMILES for 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol is CCC(O)C(C)c1nc(C)ns1.
What is the InChIKey of 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol?
The InChIKey is GDEABWXGACCKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-4-7(11)5(2)8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3.
What are the key properties of 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol?
2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol has a molecular weight of 186.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol is sourced from PubChem (CID 65273535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).