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

C8H14N2OS — CID 10726220

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol
SMILESCCCC(O)Cc1nnc(C)s1
InChIInChI=1S/C8H14N2OS/c1-3-4-7(11)5-8-10-9-6(2)12-8/h7,11H,3-5H2,1-2H3
InChIKeyPYQSKWKOUJOQOP-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.55
Rot. Bonds4

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

1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol (PubChem CID 10726220) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol
PubChem CID10726220
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol
SMILESCCCC(O)Cc1nnc(C)s1
InChIInChI=1S/C8H14N2OS/c1-3-4-7(11)5-8-10-9-6(2)12-8/h7,11H,3-5H2,1-2H3
InChIKeyPYQSKWKOUJOQOP-UHFFFAOYSA-N
XLogP1.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol (CID 10726220) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol is CCCC(O)Cc1nnc(C)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol?
The InChIKey is PYQSKWKOUJOQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-4-7(11)5-8-10-9-6(2)12-8/h7,11H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol?
1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 10726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).