(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C15H15BrN2O2S — CID 1368971

IUPAC(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10(11-2-4-12(16)5-3-11)13-14(19)17-15(21-13)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3/b13-10-
InChIKeyRKPRTSBFAHUQCT-RAXLEYEMSA-N
MW367.27 g/mol
LogP3.14
Rot. Bonds1

About (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 1368971) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID1368971
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10(11-2-4-12(16)5-3-11)13-14(19)17-15(21-13)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3/b13-10-
InChIKeyRKPRTSBFAHUQCT-RAXLEYEMSA-N
XLogP3.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.14
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-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 1368971) is (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1.
What is the InChIKey of (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is RKPRTSBFAHUQCT-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10(11-2-4-12(16)5-3-11)13-14(19)17-15(21-13)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3/b13-10-.
What are the key properties of (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 367.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-bromophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 1368971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).