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

C8H14N2OS — CID 65273532

IUPAC3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCc1nsc(CC(O)C(C)C)n1
InChIInChI=1S/C8H14N2OS/c1-5(2)7(11)4-8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3
InChIKeyJRTZECXOUMRPLH-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.41
Rot. Bonds3

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

3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (PubChem CID 65273532) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
PubChem CID65273532
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCc1nsc(CC(O)C(C)C)n1
InChIInChI=1S/C8H14N2OS/c1-5(2)7(11)4-8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3
InChIKeyJRTZECXOUMRPLH-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (CID 65273532) is 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol is Cc1nsc(CC(O)C(C)C)n1.
What is the InChIKey of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The InChIKey is JRTZECXOUMRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5(2)7(11)4-8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 65273532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).