4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol

C9H17N3O2S — CID 106253886

IUPAC4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nnc(C)s1
InChIInChI=1S/C9H17N3O2S/c1-7-11-12-8(15-7)10-6-9(2,13)4-5-14-3/h13H,4-6H2,1-3H3,(H,10,12)
InChIKeyPDZIKWJRAOIYKF-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.05
Rot. Bonds6

About 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol

4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol (PubChem CID 106253886) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
PubChem CID106253886
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nnc(C)s1
InChIInChI=1S/C9H17N3O2S/c1-7-11-12-8(15-7)10-6-9(2,13)4-5-14-3/h13H,4-6H2,1-3H3,(H,10,12)
InChIKeyPDZIKWJRAOIYKF-UHFFFAOYSA-N
XLogP1.05
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol (CID 106253886) is 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol is COCCC(C)(O)CNc1nnc(C)s1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The InChIKey is PDZIKWJRAOIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7-11-12-8(15-7)10-6-9(2,13)4-5-14-3/h13H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol has a molecular weight of 231.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol is sourced from PubChem (CID 106253886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).