5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one

C20H12F3N3O3S — CID 137276848

IUPAC5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C/C1=C\c1sc(=O)[nH]c1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O3S/c21-20(22,23)29-14-7-5-13(6-8-14)24-17-16(30-19(28)26-17)10-12-9-11-3-1-2-4-15(11)25-18(12)27/h1-10,24H,(H,26,28)/b12-10+
InChIKeyOCLSUJWGSKNGBV-ZRDIBKRKSA-N
MW431.40 g/mol
LogP3.10
Rot. Bonds4

About 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one

5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one (PubChem CID 137276848) has the molecular formula C20H12F3N3O3S and a molecular weight of 431.40 g/mol. Its IUPAC name is 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one
PubChem CID137276848
Molecular FormulaC20H12F3N3O3S
Molecular Weight431.40 g/mol
Exact Mass431.06
IUPAC Name5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C/C1=C\c1sc(=O)[nH]c1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O3S/c21-20(22,23)29-14-7-5-13(6-8-14)24-17-16(30-19(28)26-17)10-12-9-11-3-1-2-4-15(11)25-18(12)27/h1-10,24H,(H,26,28)/b12-10+
InChIKeyOCLSUJWGSKNGBV-ZRDIBKRKSA-N
XLogP3.10
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-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

(3E)-5-bromo-3-{(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
CID 1182675
1-(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(4-methoxyphenyl)urea
CID 129731398
2-((2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
CID 7185234
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7185412
2-((5-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
CID 30595777
(5Z)-5-[(2-hydroxyquinolin-3-yl)methylidene]-4-{[4-(trifluoromethoxy)phenyl]amino}-1,3-thiazol-2(5H)-one
CID 135634110
(5Z)-5-[(2-hydroxyquinolin-3-yl)methylidene]-4-{[3-(trifluoromethoxy)phenyl]amino}-1,3-thiazol-2(5H)-one
CID 135634231
5-[(2-oxoquinolin-3-ylidene)methyl]-4-[3-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one
CID 136899518
5-[(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one
CID 136899527
(Z)-5-((2-oxo-1,2-dihydroquinolin-3-yl)methylene)-4-((3-(trifluoromethoxy)phenyl)amino)thiazol-2(5H)-one
CID 137288027
(4Z,5Z)-4-((4-ethoxyphenyl)imino)-5-(2-oxoindolin-3-ylidene)thiazolidin-2-one
CID 1182673
(4Z,5E)-5-(5-bromo-2-oxoindolin-3-ylidene)-4-((4-methoxyphenyl)imino)thiazolidin-2-one
CID 1182679

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one (CID 137276848) is 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one is O=C1N=c2ccccc2=C/C1=C\c1sc(=O)[nH]c1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one?
The InChIKey is OCLSUJWGSKNGBV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H12F3N3O3S/c21-20(22,23)29-14-7-5-13(6-8-14)24-17-16(30-19(28)26-17)10-12-9-11-3-1-2-4-15(11)25-18(12)27/h1-10,24H,(H,26,28)/b12-10+.
What are the key properties of 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one?
5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one has a molecular weight of 431.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-4-[4-(trifluoromethoxy)anilino]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 137276848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).