2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine

C13H22N2OS — CID 51086495

IUPAC2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1CN(Cc2csc(C(C)C)n2)CC(C)O1
InChIInChI=1S/C13H22N2OS/c1-9(2)13-14-12(8-17-13)7-15-5-10(3)16-11(4)6-15/h8-11H,5-7H2,1-4H3
InChIKeySBRWLYLJYBZESW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.88
Rot. Bonds3

About 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine

2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 51086495) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID51086495
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1CN(Cc2csc(C(C)C)n2)CC(C)O1
InChIInChI=1S/C13H22N2OS/c1-9(2)13-14-12(8-17-13)7-15-5-10(3)16-11(4)6-15/h8-11H,5-7H2,1-4H3
InChIKeySBRWLYLJYBZESW-UHFFFAOYSA-N
XLogP2.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 51086495) is 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is CC1CN(Cc2csc(C(C)C)n2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is SBRWLYLJYBZESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)13-14-12(8-17-13)7-15-5-10(3)16-11(4)6-15/h8-11H,5-7H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 254.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 51086495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).