(5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one

C14H8F3N3OS2 — CID 71610082

IUPAC(5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)S1
InChIInChI=1S/C14H8F3N3OS2/c15-14(16,17)8-3-1-7(2-4-8)12-19-9(6-22-12)5-10-11(21)20-13(18)23-10/h1-6H,(H2,18,20,21)/b10-5+
InChIKeyUCIUWYIJNVMZNY-BJMVGYQFSA-N
MW355.37 g/mol
LogP3.76
Rot. Bonds2

About (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one

(5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one (PubChem CID 71610082) has the molecular formula C14H8F3N3OS2 and a molecular weight of 355.37 g/mol. Its IUPAC name is (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one
PubChem CID71610082
Molecular FormulaC14H8F3N3OS2
Molecular Weight355.37 g/mol
Exact Mass355.01
IUPAC Name(5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)S1
InChIInChI=1S/C14H8F3N3OS2/c15-14(16,17)8-3-1-7(2-4-8)12-19-9(6-22-12)5-10-11(21)20-13(18)23-10/h1-6H,(H2,18,20,21)/b10-5+
InChIKeyUCIUWYIJNVMZNY-BJMVGYQFSA-N
XLogP3.76
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
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'}

Analyze (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
CID 18526834
(5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 35791000
(5E)-2-amino-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one
CID 2278526
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
(3E)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 134032456
2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
CID 2865758
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzaldehyde
CID 1201096
(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one
CID 1243441
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
methyl 4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethenyl]pyrimidine-5-carboxylate
CID 91941810

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one (CID 71610082) is (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)S1.
What is the InChIKey of (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one?
The InChIKey is UCIUWYIJNVMZNY-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H8F3N3OS2/c15-14(16,17)8-3-1-7(2-4-8)12-19-9(6-22-12)5-10-11(21)20-13(18)23-10/h1-6H,(H2,18,20,21)/b10-5+.
What are the key properties of (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one?
(5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one has a molecular weight of 355.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 71610082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).