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

C20H15N3O3S — CID 137277299

IUPAC4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Nc2[nH]c(=O)sc2/C=C2\C=c3ccccc3=NC2=O)cc1
InChIInChI=1S/C20H15N3O3S/c1-26-15-8-6-14(7-9-15)21-18-17(27-20(25)23-18)11-13-10-12-4-2-3-5-16(12)22-19(13)24/h2-11,21H,1H3,(H,23,25)/b13-11+
InChIKeyPLCTXHJWMRRBIM-ACCUITESSA-N
MW377.43 g/mol
LogP2.21
Rot. Bonds4

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

4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 137277299) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID137277299
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Nc2[nH]c(=O)sc2/C=C2\C=c3ccccc3=NC2=O)cc1
InChIInChI=1S/C20H15N3O3S/c1-26-15-8-6-14(7-9-15)21-18-17(27-20(25)23-18)11-13-10-12-4-2-3-5-16(12)22-19(13)24/h2-11,21H,1H3,(H,23,25)/b13-11+
InChIKeyPLCTXHJWMRRBIM-ACCUITESSA-N
XLogP2.21
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 136887838
4-(4-methoxyanilino)-5-[[3-(4-methoxyphenyl)pyrazol-4-ylidene]methyl]-3H-1,3-thiazol-2-one
CID 136887779
4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 135782219
4-hydroxy-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 155812082
4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 171043078
3-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]-7-methoxyquinolin-2-one
CID 135904093
4-hydroxy-5-[(8-methyl-2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 136629086
(3Z)-3-[[4-hydroxy-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one
CID 136663131
(3Z)-3-[[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]methylidene]-7-methoxyquinolin-2-one
CID 136663133
(8E)-8-[[4-hydroxy-3-(4-methoxyphenyl)-2-oxo-1,3-thiazol-5-yl]methylidene]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one
CID 135654216
2-chloro-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 4184980
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 137277299) is 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is COc1ccc(Nc2[nH]c(=O)sc2/C=C2\C=c3ccccc3=NC2=O)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PLCTXHJWMRRBIM-ACCUITESSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-15-8-6-14(7-9-15)21-18-17(27-20(25)23-18)11-13-10-12-4-2-3-5-16(12)22-19(13)24/h2-11,21H,1H3,(H,23,25)/b13-11+.
What are the key properties of 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 377.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-5-[(E)-(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 137277299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).