4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine

C11H18N2OS — CID 51086508

IUPAC4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)c1nc(CN2CCOCC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13/h8-9H,3-7H2,1-2H3
InChIKeyNQPPENHEGDFETI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds3

About 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine

4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 51086508) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID51086508
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC(C)c1nc(CN2CCOCC2)cs1
InChIInChI=1S/C11H18N2OS/c1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13/h8-9H,3-7H2,1-2H3
InChIKeyNQPPENHEGDFETI-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 51086508) is 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is CC(C)c1nc(CN2CCOCC2)cs1.
What is the InChIKey of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is NQPPENHEGDFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 226.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 51086508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).