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

C22H20Cl2N2O4S — CID 6218132

IUPAC(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-28-19-10-14(2-5-18(19)30-13-15-3-4-16(23)12-17(15)24)11-20-21(27)25-22(31-20)26-6-8-29-9-7-26/h2-5,10-12H,6-9,13H2,1H3/b20-11-
InChIKeyZUJBTNDSJGCOEN-JAIQZWGSSA-N
MW479.39 g/mol
LogP4.88
Rot. Bonds5

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

(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 6218132) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID6218132
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-28-19-10-14(2-5-18(19)30-13-15-3-4-16(23)12-17(15)24)11-20-21(27)25-22(31-20)26-6-8-29-9-7-26/h2-5,10-12H,6-9,13H2,1H3/b20-11-
InChIKeyZUJBTNDSJGCOEN-JAIQZWGSSA-N
XLogP4.88
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 4753525
2-[2-methoxy-4-[(E)-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid
CID 6533108
5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 67315400
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 6137559
5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 71962423
(5E)-5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 11598996
(5Z)-5-[(3-bromo-4-ethoxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1498167
(5Z)-2-(azepan-1-yl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 21369741
(5E)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 11582614
(5E)-5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 173123253
(6Z)-6-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-2-methylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 56726919
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 671071

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 6218132) is (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is ZUJBTNDSJGCOEN-JAIQZWGSSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-28-19-10-14(2-5-18(19)30-13-15-3-4-16(23)12-17(15)24)11-20-21(27)25-22(31-20)26-6-8-29-9-7-26/h2-5,10-12H,6-9,13H2,1H3/b20-11-.
What are the key properties of (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 479.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 6218132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).