(5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione

C18H11ClN2O3S — CID 18840537

IUPAC(5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)/C(=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21
InChIInChI=1S/C18H11ClN2O3S/c1-20-13-5-3-2-4-12(13)14(16(20)22)15-17(23)21(18(24)25-15)11-8-6-10(19)7-9-11/h2-9H,1H3/b15-14-
InChIKeyMVIJDXVAQLRXPX-PFONDFGASA-N
MW370.82 g/mol
LogP3.93
Rot. Bonds1

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

(5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 18840537) has the molecular formula C18H11ClN2O3S and a molecular weight of 370.82 g/mol. Its IUPAC name is (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
PubChem CID18840537
Molecular FormulaC18H11ClN2O3S
Molecular Weight370.82 g/mol
Exact Mass370.02
IUPAC Name(5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)/C(=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21
InChIInChI=1S/C18H11ClN2O3S/c1-20-13-5-3-2-4-12(13)14(16(20)22)15-17(23)21(18(24)25-15)11-8-6-10(19)7-9-11/h2-9H,1H3/b15-14-
InChIKeyMVIJDXVAQLRXPX-PFONDFGASA-N
XLogP3.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.93
H-Bond Donors ≤ 50
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-methyl-2-oxoindol-3-ylidene)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377522
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
CID 23763354
(5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one
CID 2199028
5-(1-methyl-2-oxoindol-3-ylidene)-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350406
3-(3-acetylphenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515365
(5E)-3-[(2-chlorophenyl)methyl]-5-(1-methyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2130061
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 71606294
3-(4-chlorophenyl)-5-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3505302
(5E)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
CID 126224418
(5E)-3-[(4-bromoanilino)methyl]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
CID 13427449
methyl 2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 18841241
3-(4-chlorophenyl)-1-methyl-2H-quinazolin-4-one
CID 117059966

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione (CID 18840537) is (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione is CN1C(=O)/C(=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21.
What is the InChIKey of (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is MVIJDXVAQLRXPX-PFONDFGASA-N. The full InChI is InChI=1S/C18H11ClN2O3S/c1-20-13-5-3-2-4-12(13)14(16(20)22)15-17(23)21(18(24)25-15)11-8-6-10(19)7-9-11/h2-9H,1H3/b15-14-.
What are the key properties of (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 370.82 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).