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

C17H20N2O3S — CID 5349787

IUPAC(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CC(C)OC(C)C3)=NC2=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-11-9-19(10-12(2)22-11)17-18-16(20)15(23-17)8-13-4-6-14(21-3)7-5-13/h4-8,11-12H,9-10H2,1-3H3/b15-8-
InChIKeyGULVJNCDTBRYTP-NVNXTCNLSA-N
MW332.43 g/mol
LogP2.77
Rot. Bonds2

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

(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 5349787) 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-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID5349787
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CC(C)OC(C)C3)=NC2=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-11-9-19(10-12(2)22-11)17-18-16(20)15(23-17)8-13-4-6-14(21-3)7-5-13/h4-8,11-12H,9-10H2,1-3H3/b15-8-
InChIKeyGULVJNCDTBRYTP-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-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 5349787) is (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(N3CC(C)OC(C)C3)=NC2=O)cc1.
What is the InChIKey of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is GULVJNCDTBRYTP-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)8-13-4-6-14(21-3)7-5-13/h4-8,11-12H,9-10H2,1-3H3/b15-8-.
What are the key properties of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-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-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 5349787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).