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

C8H15N3OS — CID 164661717

IUPAC3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
SMILESCc1nnc(CC(C)(O)C(C)N)s1
InChIInChI=1S/C8H15N3OS/c1-5(9)8(3,12)4-7-11-10-6(2)13-7/h5,12H,4,9H2,1-3H3
InChIKeyQKXWCUIGAXEHRJ-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.49
Rot. Bonds3

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

3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol (PubChem CID 164661717) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
PubChem CID164661717
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
SMILESCc1nnc(CC(C)(O)C(C)N)s1
InChIInChI=1S/C8H15N3OS/c1-5(9)8(3,12)4-7-11-10-6(2)13-7/h5,12H,4,9H2,1-3H3
InChIKeyQKXWCUIGAXEHRJ-UHFFFAOYSA-N
XLogP0.49
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
The IUPAC name of 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol (CID 164661717) is 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
The canonical SMILES for 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol is Cc1nnc(CC(C)(O)C(C)N)s1.
What is the InChIKey of 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
The InChIKey is QKXWCUIGAXEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5(9)8(3,12)4-7-11-10-6(2)13-7/h5,12H,4,9H2,1-3H3.
What are the key properties of 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol?
3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol is sourced from PubChem (CID 164661717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).