(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one

C15H18N2O2S2 — CID 12005135

IUPAC(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1/SC(N2CC(C)OC(C)C2)=NC1=O
InChIInChI=1S/C15H18N2O2S2/c1-9-4-5-20-12(9)6-13-14(18)16-15(21-13)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3/b13-6+
InChIKeyCXSCXXJSWFBCQD-AWNIVKPZSA-N
MW322.46 g/mol
LogP3.14
Rot. Bonds1

About (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one

(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 12005135) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID12005135
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1/SC(N2CC(C)OC(C)C2)=NC1=O
InChIInChI=1S/C15H18N2O2S2/c1-9-4-5-20-12(9)6-13-14(18)16-15(21-13)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3/b13-6+
InChIKeyCXSCXXJSWFBCQD-AWNIVKPZSA-N
XLogP3.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.14
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
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
5-[(3-methyl-2-thienyl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 701648
5-(3-Methyl-thiophen-2-ylmethylene)-2-morpholin-4-yl-thiazol-4-one
CID 701646
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 701623
2-(4-methyl-1-piperidinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 5286753
5-[(3-Methyl(2-thienyl))methylene]-2-piperidyl-1,3-thiazolin-4-one
CID 701622
5-[(3-Methyl-2-thiophenyl)methylidene]-2-(4-morpholinyl)-4-thiazolone
CID 2892971
(5Z)-2-(4-methylpiperazin-1-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4(5H)-one
CID 879075
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 5729825
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 16370530

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one (CID 12005135) is (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one is Cc1ccsc1/C=C1/SC(N2CC(C)OC(C)C2)=NC1=O.
What is the InChIKey of (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is CXSCXXJSWFBCQD-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9-4-5-20-12(9)6-13-14(18)16-15(21-13)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3/b13-6+.
What are the key properties of (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one?
(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 322.46 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 12005135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).