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

C12H12N2O3S — CID 6614726

IUPAC5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1=Cc1ccoc1
InChIInChI=1S/C12H12N2O3S/c15-11-10(7-9-1-4-17-8-9)18-12(13-11)14-2-5-16-6-3-14/h1,4,7-8H,2-3,5-6H2
InChIKeyMWXWYHXHYMMBEW-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.58
Rot. Bonds1

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

5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 6614726) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID6614726
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)SC1=Cc1ccoc1
InChIInChI=1S/C12H12N2O3S/c15-11-10(7-9-1-4-17-8-9)18-12(13-11)14-2-5-16-6-3-14/h1,4,7-8H,2-3,5-6H2
InChIKeyMWXWYHXHYMMBEW-UHFFFAOYSA-N
XLogP1.58
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.58
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

5-[(3-bromo-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1401714
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 717351
(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
CID 11976459
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1422423
5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 4885817
(5Z)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 6224306
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 985001
5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 5214441
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 671071
(5Z)-5-[(3-bromo-4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1498167
2-morpholin-4-yl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 3126408
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 24958764

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (CID 6614726) is 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)SC1=Cc1ccoc1.
What is the InChIKey of 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is MWXWYHXHYMMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-11-10(7-9-1-4-17-8-9)18-12(13-11)14-2-5-16-6-3-14/h1,4,7-8H,2-3,5-6H2.
What are the key properties of 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 264.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 6614726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).