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

C13H14N2O2S — CID 46186057

IUPAC(5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N(C)C)=NC2=O)cc1
InChIInChI=1S/C13H14N2O2S/c1-15(2)13-14-12(16)11(18-13)8-9-4-6-10(17-3)7-5-9/h4-8H,1-3H3/b11-8-
InChIKeySIXZZCSIRZJBJW-FLIBITNWSA-N
MW262.33 g/mol
LogP2.23
Rot. Bonds2

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

(5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 46186057) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID46186057
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N(C)C)=NC2=O)cc1
InChIInChI=1S/C13H14N2O2S/c1-15(2)13-14-12(16)11(18-13)8-9-4-6-10(17-3)7-5-9/h4-8H,1-3H3/b11-8-
InChIKeySIXZZCSIRZJBJW-FLIBITNWSA-N
XLogP2.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 46186057) is (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(N(C)C)=NC2=O)cc1.
What is the InChIKey of (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is SIXZZCSIRZJBJW-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(2)13-14-12(16)11(18-13)8-9-4-6-10(17-3)7-5-9/h4-8H,1-3H3/b11-8-.
What are the key properties of (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 262.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(dimethylamino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 46186057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).