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

C16H18N2O4S — CID 6491687

IUPAC(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one
SMILESCOc1ccc(OC)c(/C=C2\N=C(N3CCOCC3)SC2=O)c1
InChIInChI=1S/C16H18N2O4S/c1-20-12-3-4-14(21-2)11(9-12)10-13-15(19)23-16(17-13)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3/b13-10-
InChIKeyDVFMBZHVWYAPLM-RAXLEYEMSA-N
MW334.40 g/mol
LogP2.01
Rot. Bonds3

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

(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one (PubChem CID 6491687) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one
PubChem CID6491687
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one
SMILESCOc1ccc(OC)c(/C=C2\N=C(N3CCOCC3)SC2=O)c1
InChIInChI=1S/C16H18N2O4S/c1-20-12-3-4-14(21-2)11(9-12)10-13-15(19)23-16(17-13)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3/b13-10-
InChIKeyDVFMBZHVWYAPLM-RAXLEYEMSA-N
XLogP2.01
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one?
The IUPAC name of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one (CID 6491687) is (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one.
What is the SMILES notation for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one?
The canonical SMILES for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one is COc1ccc(OC)c(/C=C2\N=C(N3CCOCC3)SC2=O)c1.
What is the InChIKey of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one?
The InChIKey is DVFMBZHVWYAPLM-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-20-12-3-4-14(21-2)11(9-12)10-13-15(19)23-16(17-13)18-5-7-22-8-6-18/h3-4,9-10H,5-8H2,1-2H3/b13-10-.
What are the key properties of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one?
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one has a molecular weight of 334.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-5-one is sourced from PubChem (CID 6491687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).