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

C17H20N2O3S — CID 6514327

IUPAC(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccccc1/C=C1\SC(N2CC(C)OC(C)C2)=NC1=O
InChIInChI=1S/C17H20N2O3S/c1-11-9-19(10-12(2)22-11)17-18-16(20)15(23-17)8-13-6-4-5-7-14(13)21-3/h4-8,11-12H,9-10H2,1-3H3/b15-8-
InChIKeyWQZMBIHFPSSTOE-NVNXTCNLSA-N
MW332.43 g/mol
LogP2.77
Rot. Bonds2

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

(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 6514327) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID6514327
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccccc1/C=C1\SC(N2CC(C)OC(C)C2)=NC1=O
InChIInChI=1S/C17H20N2O3S/c1-11-9-19(10-12(2)22-11)17-18-16(20)15(23-17)8-13-6-4-5-7-14(13)21-3/h4-8,11-12H,9-10H2,1-3H3/b15-8-
InChIKeyWQZMBIHFPSSTOE-NVNXTCNLSA-N
XLogP2.77
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.77
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)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 6514327) is (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one is COc1ccccc1/C=C1\SC(N2CC(C)OC(C)C2)=NC1=O.
What is the InChIKey of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is WQZMBIHFPSSTOE-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-9-19(10-12(2)22-11)17-18-16(20)15(23-17)8-13-6-4-5-7-14(13)21-3/h4-8,11-12H,9-10H2,1-3H3/b15-8-.
What are the key properties of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 332.43 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 6514327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).