(5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one

C20H17N3O2S — CID 135426170

IUPAC(5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C
InChIInChI=1S/C20H17N3O2S/c1-11-7-6-9-14(12(11)2)21-20-22-18(24)17(26-20)16-13-8-4-5-10-15(13)23(3)19(16)25/h4-10H,1-3H3,(H,21,22,24)/b17-16-
InChIKeyVQFZFDGGHYQGPQ-MSUUIHNZSA-N
MW363.44 g/mol
LogP3.54
Rot. Bonds1

About (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one

(5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 135426170) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID135426170
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name(5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C
InChIInChI=1S/C20H17N3O2S/c1-11-7-6-9-14(12(11)2)21-20-22-18(24)17(26-20)16-13-8-4-5-10-15(13)23(3)19(16)25/h4-10H,1-3H3,(H,21,22,24)/b17-16-
InChIKeyVQFZFDGGHYQGPQ-MSUUIHNZSA-N
XLogP3.54
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2Z)-2-(1-Butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 6519189
7-(5,7-Dimethyl-2-oxoindolin-3-ylidene)-3-phenyl-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1890295
(3Z)-3-[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
CID 659003
1-Benzyl-3-(2-morpholin-4-yl-4-oxo-4H-thiazol-5-ylidene)-1,3-dihydro-indol-2-one
CID 1905646
6-(4-methylbenzyl)-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 2200063
1-Butyl-3-(2-morpholin-4-yl-4-oxo-4H-thiazol-5-ylidene)-1,3-dihydro-indol-2-one
CID 2274794
(3Z)-1-ethyl-3-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5(4H)-ylidene)-1,3-dihydro-2H-indol-2-one
CID 3241647
(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57397270
(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57400669
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2,3-dimethylphenyl)acetamide
CID 135413895
6-amino-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-5-phenyl-4(3H)-pyrimidinone
CID 135414687
4-[[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 145972366

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one (CID 135426170) is (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C.
What is the InChIKey of (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is VQFZFDGGHYQGPQ-MSUUIHNZSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-11-7-6-9-14(12(11)2)21-20-22-18(24)17(26-20)16-13-8-4-5-10-15(13)23(3)19(16)25/h4-10H,1-3H3,(H,21,22,24)/b17-16-.
What are the key properties of (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 363.44 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,3-dimethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135426170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).