[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine

C9H16N4OS — CID 83095298

IUPAC[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
SMILESCCc1nsc(N2CCOCC2CN)n1
InChIInChI=1S/C9H16N4OS/c1-2-8-11-9(15-12-8)13-3-4-14-6-7(13)5-10/h7H,2-6,10H2,1H3
InChIKeyKSNORDWNOMMZHP-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.26
Rot. Bonds3

About [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine (PubChem CID 83095298) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
PubChem CID83095298
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
SMILESCCc1nsc(N2CCOCC2CN)n1
InChIInChI=1S/C9H16N4OS/c1-2-8-11-9(15-12-8)13-3-4-14-6-7(13)5-10/h7H,2-6,10H2,1H3
InChIKeyKSNORDWNOMMZHP-UHFFFAOYSA-N
XLogP0.26
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine (CID 83095298) is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine.
What is the SMILES notation for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The canonical SMILES for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine is CCc1nsc(N2CCOCC2CN)n1.
What is the InChIKey of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
The InChIKey is KSNORDWNOMMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-8-11-9(15-12-8)13-3-4-14-6-7(13)5-10/h7H,2-6,10H2,1H3.
What are the key properties of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine?
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine has a molecular weight of 228.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83095298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).