(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one

C17H16N4OS — CID 155549000

IUPAC(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(N(C)C)cc3)c2)S1
InChIInChI=1S/C17H16N4OS/c1-21(2)14-5-3-12(4-6-14)13-7-11(9-19-10-13)8-15-16(22)20-17(18)23-15/h3-10H,1-2H3,(H2,18,20,22)/b15-8-
InChIKeyMFZLMACKJGFEJM-NVNXTCNLSA-N
MW324.41 g/mol
LogP2.95
Rot. Bonds3

About (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one

(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 155549000) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID155549000
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(N(C)C)cc3)c2)S1
InChIInChI=1S/C17H16N4OS/c1-21(2)14-5-3-12(4-6-14)13-7-11(9-19-10-13)8-15-16(22)20-17(18)23-15/h3-10H,1-2H3,(H2,18,20,22)/b15-8-
InChIKeyMFZLMACKJGFEJM-NVNXTCNLSA-N
XLogP2.95
TPSA69.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-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

ROCHE screening, 64
CID 135475857
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide
CID 71601108
3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731891
(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135535982
(2E,5Z)-2-((2,4-dimethylphenyl)imino)-5-((1-methyl-1H-pyrrol-2-yl)methylene)thiazolidin-4-one
CID 135628212
(5Z)-2-(4-ethylphenyl)imino-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 134145284
N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155512072
N-[4-[2-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155523946
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810570
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one (CID 155549000) is (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(N(C)C)cc3)c2)S1.
What is the InChIKey of (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is MFZLMACKJGFEJM-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-21(2)14-5-3-12(4-6-14)13-7-11(9-19-10-13)8-15-16(22)20-17(18)23-15/h3-10H,1-2H3,(H2,18,20,22)/b15-8-.
What are the key properties of (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 155549000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).