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

C9H17N3OS — CID 65272712

IUPAC3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-9(13,5-2)6-10-8-11-7(3)12-14-8/h13H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyCREWZRCOQVWNLR-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.81
Rot. Bonds5

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

3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol (PubChem CID 65272712) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
PubChem CID65272712
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-9(13,5-2)6-10-8-11-7(3)12-14-8/h13H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyCREWZRCOQVWNLR-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol (CID 65272712) is 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nc(C)ns1.
What is the InChIKey of 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
The InChIKey is CREWZRCOQVWNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-9(13,5-2)6-10-8-11-7(3)12-14-8/h13H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol has a molecular weight of 215.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65272712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).