4-methyl-1-(thiadiazol-4-yl)pentan-1-ol

C8H14N2OS — CID 105085531

IUPAC4-methyl-1-(thiadiazol-4-yl)pentan-1-ol
SMILESCC(C)CCC(O)c1csnn1
InChIInChI=1S/C8H14N2OS/c1-6(2)3-4-8(11)7-5-12-10-9-7/h5-6,8,11H,3-4H2,1-2H3
InChIKeyPSLIFSUHBOXBPY-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol

4-methyl-1-(thiadiazol-4-yl)pentan-1-ol (PubChem CID 105085531) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(thiadiazol-4-yl)pentan-1-ol
PubChem CID105085531
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-methyl-1-(thiadiazol-4-yl)pentan-1-ol
SMILESCC(C)CCC(O)c1csnn1
InChIInChI=1S/C8H14N2OS/c1-6(2)3-4-8(11)7-5-12-10-9-7/h5-6,8,11H,3-4H2,1-2H3
InChIKeyPSLIFSUHBOXBPY-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol?
The IUPAC name of 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol (CID 105085531) is 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol.
What is the SMILES notation for 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol?
The canonical SMILES for 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol is CC(C)CCC(O)c1csnn1.
What is the InChIKey of 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol?
The InChIKey is PSLIFSUHBOXBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6(2)3-4-8(11)7-5-12-10-9-7/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol?
4-methyl-1-(thiadiazol-4-yl)pentan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiadiazol-4-yl)pentan-1-ol is sourced from PubChem (CID 105085531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).