(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

C17H21N3OS — CID 715217

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCN(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C17H21N3OS/c1-19(2)14-8-6-13(7-9-14)12-15-16(21)18-17(22-15)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3/b15-12-
InChIKeyLWVUAWHWEMYMOW-QINSGFPZSA-N
MW315.44 g/mol
LogP3.21
Rot. Bonds2

About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 715217) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID715217
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCN(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C17H21N3OS/c1-19(2)14-8-6-13(7-9-14)12-15-16(21)18-17(22-15)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3/b15-12-
InChIKeyLWVUAWHWEMYMOW-QINSGFPZSA-N
XLogP3.21
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.21
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'}

Analyze (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-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

3-(4-Methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052838
6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177
2-[4-(4-methylphenyl)-1-piperazinyl]-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 1932790
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-prop-1-en-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009185
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
2-(4-(3-chloro-4-methylphenyl)piperazin-1-yl)-5-(propan-2-ylidene)thiazol-4(5H)-one
CID 885232
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
(7Z)-7-benzylidene-3-(4-ethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1888918
(5Z)-3-allyl-2-allylimino-5-[4-(dimethylamino)benzylidene]thiazolidin-4-one
CID 1978270

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 715217) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is CN(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is LWVUAWHWEMYMOW-QINSGFPZSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-19(2)14-8-6-13(7-9-14)12-15-16(21)18-17(22-15)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3/b15-12-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 315.44 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 715217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).