5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one

C19H10F3N3O2S — CID 135634517

IUPAC5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C/C1=C/c1sc(=O)[nH]c1Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H10F3N3O2S/c20-12-7-11(8-13(21)16(12)22)23-17-15(28-19(27)25-17)6-10-5-9-3-1-2-4-14(9)24-18(10)26/h1-8,23H,(H,25,27)/b10-6-
InChIKeyXQJZOCHTMMUPRC-POHAHGRESA-N
MW401.37 g/mol
LogP2.62
Rot. Bonds3

About 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one

5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one (PubChem CID 135634517) has the molecular formula C19H10F3N3O2S and a molecular weight of 401.37 g/mol. Its IUPAC name is 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one
PubChem CID135634517
Molecular FormulaC19H10F3N3O2S
Molecular Weight401.37 g/mol
Exact Mass401.04
IUPAC Name5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C/C1=C/c1sc(=O)[nH]c1Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H10F3N3O2S/c20-12-7-11(8-13(21)16(12)22)23-17-15(28-19(27)25-17)6-10-5-9-3-1-2-4-14(9)24-18(10)26/h1-8,23H,(H,25,27)/b10-6-
InChIKeyXQJZOCHTMMUPRC-POHAHGRESA-N
XLogP2.62
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-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

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one (CID 135634517) is 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one is O=C1N=c2ccccc2=C/C1=C/c1sc(=O)[nH]c1Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one?
The InChIKey is XQJZOCHTMMUPRC-POHAHGRESA-N. The full InChI is InChI=1S/C19H10F3N3O2S/c20-12-7-11(8-13(21)16(12)22)23-17-15(28-19(27)25-17)6-10-5-9-3-1-2-4-14(9)24-18(10)26/h1-8,23H,(H,25,27)/b10-6-.
What are the key properties of 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one?
5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one has a molecular weight of 401.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trifluoroanilino)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135634517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).