(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one

C18H11F3N4OS — CID 162346640

IUPAC(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one
SMILESO=C1NC(Nc2cccc(C(F)(F)F)c2)=N/C1=C\c1ccc2ncsc2c1
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)11-2-1-3-12(8-11)23-17-24-14(16(26)25-17)6-10-4-5-13-15(7-10)27-9-22-13/h1-9H,(H2,23,24,25,26)/b14-6-
InChIKeyAMHZZMGEDQCWKL-NSIKDUERSA-N
MW388.37 g/mol
LogP4.25
Rot. Bonds2

About (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one

(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one (PubChem CID 162346640) has the molecular formula C18H11F3N4OS and a molecular weight of 388.37 g/mol. Its IUPAC name is (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one
PubChem CID162346640
Molecular FormulaC18H11F3N4OS
Molecular Weight388.37 g/mol
Exact Mass388.06
IUPAC Name(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one
SMILESO=C1NC(Nc2cccc(C(F)(F)F)c2)=N/C1=C\c1ccc2ncsc2c1
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)11-2-1-3-12(8-11)23-17-24-14(16(26)25-17)6-10-4-5-13-15(7-10)27-9-22-13/h1-9H,(H2,23,24,25,26)/b14-6-
InChIKeyAMHZZMGEDQCWKL-NSIKDUERSA-N
XLogP4.25
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-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

2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
5-(6-benzothiazolylmethylene)-3,5-dihydro-2-(((1S)-1-(methoxymethyl)-3-methylbutyl)amino)-4H-Imidazol-4-one, (5Z)-
CID 162346700
2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 3244448
Casein kinase 1|A-IN-5
CID 77106470
(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 127032024
US10669246, Example 82
CID 138504792
(2E)-N-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
CID 715686
Leucettinib-92
CID 162346766
N-1,3-benzothiazol-2-yl-2-[5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
CID 1364066
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 3712089
2-(4-ethyl-1-piperazinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 6459071
2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-(trifluoromethyl)benzo[d]thiazol-2-yl)acetamide
CID 71716255

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one (CID 162346640) is (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one is O=C1NC(Nc2cccc(C(F)(F)F)c2)=N/C1=C\c1ccc2ncsc2c1.
What is the InChIKey of (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one?
The InChIKey is AMHZZMGEDQCWKL-NSIKDUERSA-N. The full InChI is InChI=1S/C18H11F3N4OS/c19-18(20,21)11-2-1-3-12(8-11)23-17-24-14(16(26)25-17)6-10-4-5-13-15(7-10)27-9-22-13/h1-9H,(H2,23,24,25,26)/b14-6-.
What are the key properties of (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one?
(4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one has a molecular weight of 388.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1,3-benzothiazol-6-ylmethylidene)-2-[3-(trifluoromethyl)anilino]-1H-imidazol-5-one is sourced from PubChem (CID 162346640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).