3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C8H15N3OS — CID 65267703

IUPAC3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCC(C)C)n1
InChIInChI=1S/C8H15N3OS/c1-6(2)4-9-8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyXXRVHGGPWRJHAN-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.75
Rot. Bonds5

About 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267703) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267703
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCC(C)C)n1
InChIInChI=1S/C8H15N3OS/c1-6(2)4-9-8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyXXRVHGGPWRJHAN-UHFFFAOYSA-N
XLogP1.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267703) is 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is COCc1nsc(NCC(C)C)n1.
What is the InChIKey of 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is XXRVHGGPWRJHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(2)4-9-8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 201.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).