(5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one

C14H14N2O2S — CID 704628

IUPAC(5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1
InChIInChI=1S/C14H14N2O2S/c17-13-12(10-11-4-2-1-3-5-11)19-14(15-13)16-6-8-18-9-7-16/h1-5,10H,6-9H2/b12-10-
InChIKeyRXOOHGDIEIAHRA-BENRWUELSA-N
MW274.34 g/mol
LogP1.99
Rot. Bonds1

About (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one

(5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 704628) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID704628
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name(5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1
InChIInChI=1S/C14H14N2O2S/c17-13-12(10-11-4-2-1-3-5-11)19-14(15-13)16-6-8-18-9-7-16/h1-5,10H,6-9H2/b12-10-
InChIKeyRXOOHGDIEIAHRA-BENRWUELSA-N
XLogP1.99
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one (CID 704628) is (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is RXOOHGDIEIAHRA-BENRWUELSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13-12(10-11-4-2-1-3-5-11)19-14(15-13)16-6-8-18-9-7-16/h1-5,10H,6-9H2/b12-10-.
What are the key properties of (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 274.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 704628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).