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

C13H22N2OS — CID 112688094

IUPAC4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
SMILESCC(C)c1csc(C2CN(C(C)C)CCO2)n1
InChIInChI=1S/C13H22N2OS/c1-9(2)11-8-17-13(14-11)12-7-15(10(3)4)5-6-16-12/h8-10,12H,5-7H2,1-4H3
InChIKeyBEIHIQFSARWANI-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.05
Rot. Bonds3

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

4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine (PubChem CID 112688094) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
PubChem CID112688094
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
SMILESCC(C)c1csc(C2CN(C(C)C)CCO2)n1
InChIInChI=1S/C13H22N2OS/c1-9(2)11-8-17-13(14-11)12-7-15(10(3)4)5-6-16-12/h8-10,12H,5-7H2,1-4H3
InChIKeyBEIHIQFSARWANI-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine (CID 112688094) is 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine is CC(C)c1csc(C2CN(C(C)C)CCO2)n1.
What is the InChIKey of 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine?
The InChIKey is BEIHIQFSARWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)11-8-17-13(14-11)12-7-15(10(3)4)5-6-16-12/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine?
4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine has a molecular weight of 254.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 112688094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).