4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine

C11H18N2OS — CID 90737423

IUPAC4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine
SMILESCCC(C)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H18N2OS/c1-3-9(2)10-8-15-11(12-10)13-4-6-14-7-5-13/h8-9H,3-7H2,1-2H3
InChIKeyJNRRHHLTTFHIJD-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.49
Rot. Bonds3

About 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine

4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine (PubChem CID 90737423) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine
PubChem CID90737423
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine
SMILESCCC(C)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H18N2OS/c1-3-9(2)10-8-15-11(12-10)13-4-6-14-7-5-13/h8-9H,3-7H2,1-2H3
InChIKeyJNRRHHLTTFHIJD-UHFFFAOYSA-N
XLogP2.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine (CID 90737423) is 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine is CCC(C)c1csc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine?
The InChIKey is JNRRHHLTTFHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-9(2)10-8-15-11(12-10)13-4-6-14-7-5-13/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine?
4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine has a molecular weight of 226.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-yl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 90737423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).