3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine

C12H22N4OS — CID 65271028

IUPAC3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C12H22N4OS/c1-12(2,3)10-14-11(18-15-10)13-4-5-16-6-8-17-9-7-16/h4-9H2,1-3H3,(H,13,14,15)
InChIKeyCULLXSULRSRHCS-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.58
Rot. Bonds4

About 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271028) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271028
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C12H22N4OS/c1-12(2,3)10-14-11(18-15-10)13-4-5-16-6-8-17-9-7-16/h4-9H2,1-3H3,(H,13,14,15)
InChIKeyCULLXSULRSRHCS-UHFFFAOYSA-N
XLogP1.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine (CID 65271028) is 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCCN2CCOCC2)n1.
What is the InChIKey of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CULLXSULRSRHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-12(2,3)10-14-11(18-15-10)13-4-5-16-6-8-17-9-7-16/h4-9H2,1-3H3,(H,13,14,15).
What are the key properties of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 270.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).