5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C13H14N2O2S2 — CID 2892971

IUPAC5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccsc1C=C1SC(N2CCOCC2)=NC1=O
InChIInChI=1S/C13H14N2O2S2/c1-9-2-7-18-10(9)8-11-12(16)14-13(19-11)15-3-5-17-6-4-15/h2,7-8H,3-6H2,1H3
InChIKeyKZNUVOHTMZRUNU-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.36
Rot. Bonds1

About 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 2892971) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID2892971
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccsc1C=C1SC(N2CCOCC2)=NC1=O
InChIInChI=1S/C13H14N2O2S2/c1-9-2-7-18-10(9)8-11-12(16)14-13(19-11)15-3-5-17-6-4-15/h2,7-8H,3-6H2,1H3
InChIKeyKZNUVOHTMZRUNU-UHFFFAOYSA-N
XLogP2.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.36
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
2-(4-morpholinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 691378
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4(5H)-one
CID 5920258
(2Z,5Z)-3-ethyl-2-(ethylimino)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazolidin-4-one
CID 5955327
5-[(3-methyl-2-thienyl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 701648
(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazol-4(5H)-one
CID 12005135
3-Ethyl-2-ethylimino-5-(3-methyl-thiophen-2-ylmethylene)-thiazolidin-4-one
CID 5292774
5-(3-Methyl-thiophen-2-ylmethylene)-2-morpholin-4-yl-thiazol-4-one
CID 701646
(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one
CID 5469483
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 701623
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
CID 704685

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 2892971) is 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is Cc1ccsc1C=C1SC(N2CCOCC2)=NC1=O.
What is the InChIKey of 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is KZNUVOHTMZRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-9-2-7-18-10(9)8-11-12(16)14-13(19-11)15-3-5-17-6-4-15/h2,7-8H,3-6H2,1H3.
What are the key properties of 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 294.40 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 2892971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).