(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one

C19H19N3OS — CID 71498347

IUPAC(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C)c1ccc(/C=C2/SC(N(C)c3ccccc3)=NC2=O)cc1
InChIInChI=1S/C19H19N3OS/c1-21(2)15-11-9-14(10-12-15)13-17-18(23)20-19(24-17)22(3)16-7-5-4-6-8-16/h4-13H,1-3H3/b17-13+
InChIKeySFKPEHWBOKWPCI-GHRIWEEISA-N
MW337.45 g/mol
LogP3.86
Rot. Bonds3

About (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one

(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one (PubChem CID 71498347) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one
PubChem CID71498347
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C)c1ccc(/C=C2/SC(N(C)c3ccccc3)=NC2=O)cc1
InChIInChI=1S/C19H19N3OS/c1-21(2)15-11-9-14(10-12-15)13-17-18(23)20-19(24-17)22(3)16-7-5-4-6-8-16/h4-13H,1-3H3/b17-13+
InChIKeySFKPEHWBOKWPCI-GHRIWEEISA-N
XLogP3.86
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
3-(4-Methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052838
5-(4-Dimethylamino-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 715217
6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
(5E)-2-[(2-chlorophenyl)amino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one
CID 135442979
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one (CID 71498347) is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one is CN(C)c1ccc(/C=C2/SC(N(C)c3ccccc3)=NC2=O)cc1.
What is the InChIKey of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one?
The InChIKey is SFKPEHWBOKWPCI-GHRIWEEISA-N. The full InChI is InChI=1S/C19H19N3OS/c1-21(2)15-11-9-14(10-12-15)13-17-18(23)20-19(24-17)22(3)16-7-5-4-6-8-16/h4-13H,1-3H3/b17-13+.
What are the key properties of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one?
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one has a molecular weight of 337.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(N-methylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 71498347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).