5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one

C14H16N2O2S — CID 4122035

IUPAC5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1Cc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-12(10-11-4-2-1-3-5-11)19-14(15-13)16-6-8-18-9-7-16/h1-5,12H,6-10H2
InChIKeyWPTNKJONDNKZHP-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.56
Rot. Bonds2

About 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one

5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 4122035) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID4122035
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1Cc1ccccc1
InChIInChI=1S/C14H16N2O2S/c17-13-12(10-11-4-2-1-3-5-11)19-14(15-13)16-6-8-18-9-7-16/h1-5,12H,6-10H2
InChIKeyWPTNKJONDNKZHP-UHFFFAOYSA-N
XLogP1.56
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one (CID 4122035) is 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is WPTNKJONDNKZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-12(10-11-4-2-1-3-5-11)19-14(15-13)16-6-8-18-9-7-16/h1-5,12H,6-10H2.
What are the key properties of 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one?
5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 276.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 4122035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).