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

C13H14N2OS — CID 727584

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)morpholine
SMILESc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
InChIKeyMRNNJVNMXOZEQC-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.65
Rot. Bonds2

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

4-(4-phenyl-1,3-thiazol-2-yl)morpholine (PubChem CID 727584) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)morpholine
PubChem CID727584
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)morpholine
SMILESc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
InChIKeyMRNNJVNMXOZEQC-UHFFFAOYSA-N
XLogP2.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)morpholine (CID 727584) is 4-(4-phenyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)morpholine is c1ccc(-c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is MRNNJVNMXOZEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2.
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
4-(4-phenyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 246.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 727584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).