(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one

C22H18N2O3S — CID 67502490

IUPAC(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one
SMILESCOc1cc(/C=C2\SC(=O)N=C2N)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C22H18N2O3S/c1-26-19-11-14(12-20-21(23)24-22(25)28-20)9-10-18(19)27-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-12H,13H2,1H3,(H2,23,24,25)/b20-12-
InChIKeyBHSGJIDYXLUEFK-NDENLUEZSA-N
MW390.46 g/mol
LogP4.99
Rot. Bonds5

About (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one

(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one (PubChem CID 67502490) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one.

Molecular Properties

Compound Name(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one
PubChem CID67502490
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one
SMILESCOc1cc(/C=C2\SC(=O)N=C2N)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C22H18N2O3S/c1-26-19-11-14(12-20-21(23)24-22(25)28-20)9-10-18(19)27-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-12H,13H2,1H3,(H2,23,24,25)/b20-12-
InChIKeyBHSGJIDYXLUEFK-NDENLUEZSA-N
XLogP4.99
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 1301972
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2274033
(5E)-3-(3,4-dichlorophenyl)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 50872875
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 6066293
(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126229820
5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135398991
2-[[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzonitrile
CID 4260267
(5E)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376471
3-[2-(4-bromophenyl)-2-oxoethyl]-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4644045
N-(2-bromophenyl)-2-[(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126339562
3-[[(5E)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6207983
[4-[(Z)-(4-amino-2-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetate
CID 16627394

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one?
The IUPAC name of (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one (CID 67502490) is (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one.
What is the SMILES notation for (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one?
The canonical SMILES for (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one is COc1cc(/C=C2\SC(=O)N=C2N)ccc1OCc1cccc2ccccc12.
What is the InChIKey of (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one?
The InChIKey is BHSGJIDYXLUEFK-NDENLUEZSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-19-11-14(12-20-21(23)24-22(25)28-20)9-10-18(19)27-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-12H,13H2,1H3,(H2,23,24,25)/b20-12-.
What are the key properties of (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one?
(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one has a molecular weight of 390.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one is sourced from PubChem (CID 67502490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).