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

C12H12N2O2S2 — CID 2844984

IUPAC2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1=Cc1cccs1
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
InChIKeyKIXBNLUJUHXGFK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds1

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

2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 2844984) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
PubChem CID2844984
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1=Cc1cccs1
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
InChIKeyKIXBNLUJUHXGFK-UHFFFAOYSA-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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Related Compounds

(5Z)-2-(morpholin-4-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 691379
(E)-2-(4-acetylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1586676
3-Morpholin-4-yl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1872215
2-(4-morpholinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 691378
(E)-3-(4-(4-oxo-5-(thiophen-2-ylmethylene)-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
CID 5765377
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4(5H)-one
CID 5920258
5-[(3-methyl-2-thienyl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 701648
4-[3-(2-Thienyl)acryloyl]morpholine
CID 2167137
(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazol-4(5H)-one
CID 12005135
(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 677356
3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 5785676
5-(3-Methyl-thiophen-2-ylmethylene)-2-morpholin-4-yl-thiazol-4-one
CID 701646

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (CID 2844984) is 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)SC1=Cc1cccs1.
What is the InChIKey of 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is KIXBNLUJUHXGFK-UHFFFAOYSA-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.
What are the key properties of 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
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 2-morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 2844984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).