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

C11H20N4OS — CID 65270398

IUPAC[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
SMILESCC(C)(C)c1nsc(N2CCOC(CN)C2)n1
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-13-10(17-14-9)15-4-5-16-8(6-12)7-15/h8H,4-7,12H2,1-3H3
InChIKeyPPINYORAJSUWSJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.00
Rot. Bonds2

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

[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine (PubChem CID 65270398) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
PubChem CID65270398
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
SMILESCC(C)(C)c1nsc(N2CCOC(CN)C2)n1
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-13-10(17-14-9)15-4-5-16-8(6-12)7-15/h8H,4-7,12H2,1-3H3
InChIKeyPPINYORAJSUWSJ-UHFFFAOYSA-N
XLogP1.00
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine (CID 65270398) is [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine is CC(C)(C)c1nsc(N2CCOC(CN)C2)n1.
What is the InChIKey of [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
The InChIKey is PPINYORAJSUWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-11(2,3)9-13-10(17-14-9)15-4-5-16-8(6-12)7-15/h8H,4-7,12H2,1-3H3.
What are the key properties of [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine?
[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine has a molecular weight of 256.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 65270398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).