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

C22H19N3O5S — CID 135634178

IUPAC5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one
SMILESCOc1cc(Nc2[nH]c(=O)sc2/C=C2/C=c3ccccc3=NC2=O)cc(OC)c1OC
InChIInChI=1S/C22H19N3O5S/c1-28-16-10-14(11-17(29-2)19(16)30-3)23-20-18(31-22(27)25-20)9-13-8-12-6-4-5-7-15(12)24-21(13)26/h4-11,23H,1-3H3,(H,25,27)/b13-9-
InChIKeyIANVXLATACGEAF-LCYFTJDESA-N
MW437.48 g/mol
LogP2.23
Rot. Bonds6

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

5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one (PubChem CID 135634178) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one
PubChem CID135634178
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one
SMILESCOc1cc(Nc2[nH]c(=O)sc2/C=C2/C=c3ccccc3=NC2=O)cc(OC)c1OC
InChIInChI=1S/C22H19N3O5S/c1-28-16-10-14(11-17(29-2)19(16)30-3)23-20-18(31-22(27)25-20)9-13-8-12-6-4-5-7-15(12)24-21(13)26/h4-11,23H,1-3H3,(H,25,27)/b13-9-
InChIKeyIANVXLATACGEAF-LCYFTJDESA-N
XLogP2.23
TPSA102.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-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-trimethoxyanilino)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one (CID 135634178) is 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one is COc1cc(Nc2[nH]c(=O)sc2/C=C2/C=c3ccccc3=NC2=O)cc(OC)c1OC.
What is the InChIKey of 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one?
The InChIKey is IANVXLATACGEAF-LCYFTJDESA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-28-16-10-14(11-17(29-2)19(16)30-3)23-20-18(31-22(27)25-20)9-13-8-12-6-4-5-7-15(12)24-21(13)26/h4-11,23H,1-3H3,(H,25,27)/b13-9-.
What are the key properties of 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one?
5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one has a molecular weight of 437.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-4-(3,4,5-trimethoxyanilino)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135634178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).