4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine

C11H18N2OS — CID 59019195

IUPAC4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine
SMILESCC(C)(C)c1ncc(N2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)10-12-8-9(15-10)13-4-6-14-7-5-13/h8H,4-7H2,1-3H3
InChIKeyDQKTUBVXPYZCEV-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.28
Rot. Bonds1

About 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine

4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine (PubChem CID 59019195) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine
PubChem CID59019195
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine
SMILESCC(C)(C)c1ncc(N2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)10-12-8-9(15-10)13-4-6-14-7-5-13/h8H,4-7H2,1-3H3
InChIKeyDQKTUBVXPYZCEV-UHFFFAOYSA-N
XLogP2.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine?
The IUPAC name of 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine (CID 59019195) is 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine.
What is the SMILES notation for 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine?
The canonical SMILES for 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine is CC(C)(C)c1ncc(N2CCOCC2)s1.
What is the InChIKey of 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine?
The InChIKey is DQKTUBVXPYZCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)10-12-8-9(15-10)13-4-6-14-7-5-13/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine?
4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine has a molecular weight of 226.34 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine is sourced from PubChem (CID 59019195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).