(5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one

C12H12N2O2S2 — CID 691378

IUPAC(5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccs1
InChIInChI=1S/C12H12N2O2S2/c15-11-10(8-9-2-1-7-17-9)18-12(13-11)14-3-5-16-6-4-14/h1-2,7-8H,3-6H2/b10-8+
InChIKeyKIXBNLUJUHXGFK-CSKARUKUSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds1

About (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one

(5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 691378) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
PubChem CID691378
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name(5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccs1
InChIInChI=1S/C12H12N2O2S2/c15-11-10(8-9-2-1-7-17-9)18-12(13-11)14-3-5-16-6-4-14/h1-2,7-8H,3-6H2/b10-8+
InChIKeyKIXBNLUJUHXGFK-CSKARUKUSA-N
XLogP2.05
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (CID 691378) is (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1cccs1.
What is the InChIKey of (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is KIXBNLUJUHXGFK-CSKARUKUSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c15-11-10(8-9-2-1-7-17-9)18-12(13-11)14-3-5-16-6-4-14/h1-2,7-8H,3-6H2/b10-8+.
What are the key properties of (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
(5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 280.37 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 691378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).