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

C20H17N3O2S — CID 135404540

IUPAC(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)cc1
InChIInChI=1S/C20H17N3O2S/c1-3-12-8-10-13(11-9-12)21-20-22-18(24)17(26-20)16-14-6-4-5-7-15(14)23(2)19(16)25/h4-11H,3H2,1-2H3,(H,21,22,24)/b17-16-
InChIKeySMNFOTZJUSFXDD-MSUUIHNZSA-N
MW363.44 g/mol
LogP3.49
Rot. Bonds2

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

(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 135404540) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID135404540
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)cc1
InChIInChI=1S/C20H17N3O2S/c1-3-12-8-10-13(11-9-12)21-20-22-18(24)17(26-20)16-14-6-4-5-7-15(14)23(2)19(16)25/h4-11H,3H2,1-2H3,(H,21,22,24)/b17-16-
InChIKeySMNFOTZJUSFXDD-MSUUIHNZSA-N
XLogP3.49
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.49
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'}

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Related Compounds

5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135486611
(5Z)-2-(4-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135475206
(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 135585542
(2E,5E)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135487381
(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
CID 135448763
2-[(3Z)-3-[2-(2-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 135404554
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459648
(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135904983
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 71606294
(5Z)-2-(4-ethylphenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522809
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834865
(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135648727

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one (CID 135404540) is (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one is CCc1ccc(/N=C2/NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)cc1.
What is the InChIKey of (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is SMNFOTZJUSFXDD-MSUUIHNZSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-3-12-8-10-13(11-9-12)21-20-22-18(24)17(26-20)16-14-6-4-5-7-15(14)23(2)19(16)25/h4-11H,3H2,1-2H3,(H,21,22,24)/b17-16-.
What are the key properties of (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 363.44 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135404540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).