3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine

C8H15N3OS — CID 116744805

IUPAC3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)(OC)c1nsc(N)n1
InChIInChI=1S/C8H15N3OS/c1-4-8(5-2,12-3)6-10-7(9)13-11-6/h4-5H2,1-3H3,(H2,9,10,11)
InChIKeyQGGGBJCHMPFHMH-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.78
Rot. Bonds4

About 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine

3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 116744805) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID116744805
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)(OC)c1nsc(N)n1
InChIInChI=1S/C8H15N3OS/c1-4-8(5-2,12-3)6-10-7(9)13-11-6/h4-5H2,1-3H3,(H2,9,10,11)
InChIKeyQGGGBJCHMPFHMH-UHFFFAOYSA-N
XLogP1.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 79202176
3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 79616034
3-(2-methoxypropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 79194892
N-tert-butyl-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 79195245
3-(2-Methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
CID 80690243
3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
CID 97049119
3-[(1R)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
CID 97049120
5-Bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618186
5-Bromo-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazole
CID 102618229
5-Bromo-3-(2-methoxybutan-2-yl)-1,2,4-thiadiazole
CID 102618271
5-Bromo-3-(2-ethoxybutan-2-yl)-1,2,4-thiadiazole
CID 102618279
3-(3-Ethoxypentan-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618636

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine (CID 116744805) is 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine is CCC(CC)(OC)c1nsc(N)n1.
What is the InChIKey of 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QGGGBJCHMPFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-8(5-2,12-3)6-10-7(9)13-11-6/h4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine?
3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 201.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116744805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).