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

C9H17N3OS — CID 133352699

IUPAC3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
SMILESCCC(C)C(O)CNc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-6(2)8(13)5-10-9-11-7(3)12-14-9/h6,8,13H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyYUYSWNSWBFDSLI-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.67
Rot. Bonds5

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

3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol (PubChem CID 133352699) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
PubChem CID133352699
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
SMILESCCC(C)C(O)CNc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-6(2)8(13)5-10-9-11-7(3)12-14-9/h6,8,13H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyYUYSWNSWBFDSLI-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The IUPAC name of 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol (CID 133352699) is 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol.
What is the SMILES notation for 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The canonical SMILES for 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol is CCC(C)C(O)CNc1nc(C)ns1.
What is the InChIKey of 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The InChIKey is YUYSWNSWBFDSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-6(2)8(13)5-10-9-11-7(3)12-14-9/h6,8,13H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol is sourced from PubChem (CID 133352699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).