(5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one

C13H14N2O4S — CID 1224854

IUPAC(5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\SC(N)=NC1=O
InChIInChI=1S/C13H14N2O4S/c1-17-8-6-10(19-3)9(18-2)4-7(8)5-11-12(16)15-13(14)20-11/h4-6H,1-3H3,(H2,14,15,16)/b11-5-
InChIKeyANWCKKRHZGPMER-WZUFQYTHSA-N
MW294.33 g/mol
LogP1.64
Rot. Bonds4

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

(5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 1224854) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID1224854
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1\SC(N)=NC1=O
InChIInChI=1S/C13H14N2O4S/c1-17-8-6-10(19-3)9(18-2)4-7(8)5-11-12(16)15-13(14)20-11/h4-6H,1-3H3,(H2,14,15,16)/b11-5-
InChIKeyANWCKKRHZGPMER-WZUFQYTHSA-N
XLogP1.64
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 1224854) is (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one is COc1cc(OC)c(OC)cc1/C=C1\SC(N)=NC1=O.
What is the InChIKey of (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is ANWCKKRHZGPMER-WZUFQYTHSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-17-8-6-10(19-3)9(18-2)4-7(8)5-11-12(16)15-13(14)20-11/h4-6H,1-3H3,(H2,14,15,16)/b11-5-.
What are the key properties of (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 294.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1224854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).