(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one

C18H19BrN4O2S — CID 135436322

IUPAC(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H19BrN4O2S/c1-10-17(25)23(12-5-3-2-4-6-12)18(26-10)22-21-15-13-9-11(19)7-8-14(13)20-16(15)24/h7-10,12H,2-6H2,1H3,(H,20,21,24)/b22-18-
InChIKeyDKOSLWXQYNFCNG-PYCFMQQDSA-N
MW435.35 g/mol
LogP3.76
Rot. Bonds2

About (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135436322) has the molecular formula C18H19BrN4O2S and a molecular weight of 435.35 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one
PubChem CID135436322
Molecular FormulaC18H19BrN4O2S
Molecular Weight435.35 g/mol
Exact Mass434.04
IUPAC Name(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H19BrN4O2S/c1-10-17(25)23(12-5-3-2-4-6-12)18(26-10)22-21-15-13-9-11(19)7-8-14(13)20-16(15)24/h7-10,12H,2-6H2,1H3,(H,20,21,24)/b22-18-
InChIKeyDKOSLWXQYNFCNG-PYCFMQQDSA-N
XLogP3.76
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one (CID 135436322) is (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N\N=C2/C(=O)Nc3ccc(Br)cc32)N(C2CCCCC2)C1=O.
What is the InChIKey of (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is DKOSLWXQYNFCNG-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H19BrN4O2S/c1-10-17(25)23(12-5-3-2-4-6-12)18(26-10)22-21-15-13-9-11(19)7-8-14(13)20-16(15)24/h7-10,12H,2-6H2,1H3,(H,20,21,24)/b22-18-.
What are the key properties of (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 435.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135436322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).