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

C19H13BrClN3O2S — CID 135708587

IUPAC(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(Cl)ccc1/N=C1/NC(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)S1
InChIInChI=1S/C19H13BrClN3O2S/c1-9-7-11(21)4-5-13(9)22-19-23-17(25)16(27-19)15-12-8-10(20)3-6-14(12)24(2)18(15)26/h3-8H,1-2H3,(H,22,23,25)/b16-15-
InChIKeyDBTDNJZGDKBRBJ-NXVVXOECSA-N
MW462.76 g/mol
LogP4.65
Rot. Bonds1

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

(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135708587) has the molecular formula C19H13BrClN3O2S and a molecular weight of 462.76 g/mol. Its IUPAC name is (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135708587
Molecular FormulaC19H13BrClN3O2S
Molecular Weight462.76 g/mol
Exact Mass460.96
IUPAC Name(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(Cl)ccc1/N=C1/NC(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)S1
InChIInChI=1S/C19H13BrClN3O2S/c1-9-7-11(21)4-5-13(9)22-19-23-17(25)16(27-19)15-12-8-10(20)3-6-14(12)24(2)18(15)26/h3-8H,1-2H3,(H,22,23,25)/b16-15-
InChIKeyDBTDNJZGDKBRBJ-NXVVXOECSA-N
XLogP4.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.76
LogP ≤ 54.65
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

(5Z)-2-(4-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135475206
(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135904983
5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459637
(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)-5-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137118704
5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
CID 4737505
(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135404540
5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135486611
(5Z)-5-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylidene]-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137118871
(5Z)-2-(4-chloro-2-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135521826
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459648
(5Z)-2-(4-chloro-2-methylphenyl)imino-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118906

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135708587) is (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cc(Cl)ccc1/N=C1/NC(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)S1.
What is the InChIKey of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is DBTDNJZGDKBRBJ-NXVVXOECSA-N. The full InChI is InChI=1S/C19H13BrClN3O2S/c1-9-7-11(21)4-5-13(9)22-19-23-17(25)16(27-19)15-12-8-10(20)3-6-14(12)24(2)18(15)26/h3-8H,1-2H3,(H,22,23,25)/b16-15-.
What are the key properties of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 462.76 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135708587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).