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

C18H11BrFN3O2S — CID 135648694

IUPAC(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c2cc(Br)ccc21
InChIInChI=1S/C18H11BrFN3O2S/c1-23-13-7-2-9(19)8-12(13)14(17(23)25)15-16(24)22-18(26-15)21-11-5-3-10(20)4-6-11/h2-8H,1H3,(H,21,22,24)/b15-14-
InChIKeyKECJFUHNCIACMC-PFONDFGASA-N
MW432.27 g/mol
LogP3.83
Rot. Bonds1

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

(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135648694) has the molecular formula C18H11BrFN3O2S and a molecular weight of 432.27 g/mol. Its IUPAC name is (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135648694
Molecular FormulaC18H11BrFN3O2S
Molecular Weight432.27 g/mol
Exact Mass430.97
IUPAC Name(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c2cc(Br)ccc21
InChIInChI=1S/C18H11BrFN3O2S/c1-23-13-7-2-9(19)8-12(13)14(17(23)25)15-16(24)22-18(26-15)21-11-5-3-10(20)4-6-11/h2-8H,1H3,(H,21,22,24)/b15-14-
InChIKeyKECJFUHNCIACMC-PFONDFGASA-N
XLogP3.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 135648694) is (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c2cc(Br)ccc21.
What is the InChIKey of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is KECJFUHNCIACMC-PFONDFGASA-N. The full InChI is InChI=1S/C18H11BrFN3O2S/c1-23-13-7-2-9(19)8-12(13)14(17(23)25)15-16(24)22-18(26-15)21-11-5-3-10(20)4-6-11/h2-8H,1H3,(H,21,22,24)/b15-14-.
What are the key properties of (5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 432.27 g/mol, XLogP of 3.83, 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-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135648694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).