(5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione

C18H11ClN2O3S — CID 18721887

IUPAC(5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1
InChIInChI=1S/C18H11ClN2O3S/c19-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)/b15-14+
InChIKeyBPZOJKGPUXZHKW-CCEZHUSRSA-N
MW370.82 g/mol
LogP3.58
Rot. Bonds2

About (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18721887) has the molecular formula C18H11ClN2O3S and a molecular weight of 370.82 g/mol. Its IUPAC name is (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18721887
Molecular FormulaC18H11ClN2O3S
Molecular Weight370.82 g/mol
Exact Mass370.02
IUPAC Name(5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1
InChIInChI=1S/C18H11ClN2O3S/c19-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)/b15-14+
InChIKeyBPZOJKGPUXZHKW-CCEZHUSRSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
CID 73460233
(5E)-5-(1-benzyl-2-oxoindol-3-ylidene)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 136700805
3-[(3E)-5-chloro-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]propanenitrile
CID 18721881
(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
CID 135448763
(3E)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-hydroxyphenyl)-2-oxoindole-5-sulfonamide
CID 18721869
1-[(3-chlorophenyl)methyl]-2,2-dioxo-2λ6,1,3-benzothiadiazin-4-one
CID 10782129
(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[2,6-di(propan-2-yl)phenyl]-2-oxoindole-5-sulfonamide
CID 59884415
(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135648727
(3Z)-1-[(3,4-dichlorophenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide
CID 59908282
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
(5E)-3-benzyl-2-benzylimino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
CID 126390649
[[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate
CID 1486904

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione (CID 18721887) is (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C2\C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1.
What is the InChIKey of (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BPZOJKGPUXZHKW-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H11ClN2O3S/c19-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)/b15-14+.
What are the key properties of (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 370.82 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18721887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).