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

C13H14N2O2S2 — CID 701648

IUPAC(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1\SC(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/b11-8-
InChIKeyKZNUVOHTMZRUNU-FLIBITNWSA-N
MW294.40 g/mol
LogP2.36
Rot. Bonds1

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

(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 701648) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID701648
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1\SC(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/b11-8-
InChIKeyKZNUVOHTMZRUNU-FLIBITNWSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 701648) is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is Cc1ccsc1/C=C1\SC(N2CCOCC2)=NC1=O.
What is the InChIKey of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is KZNUVOHTMZRUNU-FLIBITNWSA-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/b11-8-.
What are the key properties of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-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 (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 701648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).