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

C8H15N3OS — CID 65272711

IUPAC2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-4-8(3,12)5-9-7-10-6(2)11-13-7/h12H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyZILWFCXALRHLOA-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.42
Rot. Bonds4

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

2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol (PubChem CID 65272711) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
PubChem CID65272711
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
SMILESCCC(C)(O)CNc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-4-8(3,12)5-9-7-10-6(2)11-13-7/h12H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyZILWFCXALRHLOA-UHFFFAOYSA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol (CID 65272711) is 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol is CCC(C)(O)CNc1nc(C)ns1.
What is the InChIKey of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
The InChIKey is ZILWFCXALRHLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-8(3,12)5-9-7-10-6(2)11-13-7/h12H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 65272711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).