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

C11H7F3N2OS — CID 18526834

IUPAC(5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)/b8-5+
InChIKeyLLSCSYFEIPWNNB-VMPITWQZSA-N
MW272.25 g/mol
LogP2.63
Rot. Bonds1

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

(5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one (PubChem CID 18526834) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
PubChem CID18526834
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name(5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)/b8-5+
InChIKeyLLSCSYFEIPWNNB-VMPITWQZSA-N
XLogP2.63
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[4-(trifluoromethyl)phenyl]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-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one
CID 2278526
4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzaldehyde
CID 1201096
2-amino-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2828980
(5Z)-2-amino-5-[[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2277937
(5E)-2-amino-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one
CID 71610082
4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoate
CID 2052605
2-amino-5-[[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2859082
2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
CID 2865758
(5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 19176660
(5Z)-2-amino-5-[[4-(4-oxopiperidin-1-yl)phenyl]methylidene]-1,3-thiazol-4-one
CID 12965952
acetic acid;(5E)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 52997289
2-amino-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-4-one
CID 66703989

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one (CID 18526834) is (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C\c2ccc(C(F)(F)F)cc2)S1.
What is the InChIKey of (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
The InChIKey is LLSCSYFEIPWNNB-VMPITWQZSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)/b8-5+.
What are the key properties of (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
(5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one has a molecular weight of 272.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 18526834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).