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

C18H19N5O4S — CID 135993389

IUPAC(2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H19N5O4S/c1-10-17(25)22(11-5-3-2-4-6-11)18(28-10)21-20-15-13-9-12(23(26)27)7-8-14(13)19-16(15)24/h7-11H,2-6H2,1H3,(H,19,20,24)/b21-18+
InChIKeyQMSNAMUILBYSGY-DYTRJAOYSA-N
MW401.45 g/mol
LogP2.90
Rot. Bonds3

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

(2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135993389) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135993389
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name(2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H19N5O4S/c1-10-17(25)22(11-5-3-2-4-6-11)18(28-10)21-20-15-13-9-12(23(26)27)7-8-14(13)19-16(15)24/h7-11H,2-6H2,1H3,(H,19,20,24)/b21-18+
InChIKeyQMSNAMUILBYSGY-DYTRJAOYSA-N
XLogP2.90
TPSA117.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-7-[(3Z)-3-methoxyimino-5-nitro-2-oxoindol-1-yl]heptanamide
CID 76328026
(2E)-3-butyl-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]thiazolidin-4-one
CID 135491392
(2E)-3-ethyl-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]thiazolidin-4-one
CID 135491393
(2E)-3-(4-bromophenyl)-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]thiazolidin-4-one
CID 135491395
(2E)-3-(4-fluorophenyl)-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]thiazolidin-4-one
CID 135491396
(2E)-3-(4-chlorophenyl)-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]thiazolidin-4-one
CID 135491397
(2E)-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]-3-(p-tolyl)thiazolidin-4-one
CID 135491398
(2E)-3-methyl-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]thiazolidin-4-one
CID 135491399
(2E)-3-(4-fluorophenyl)-5-methyl-2-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)hydrazono]thiazolidin-4-one
CID 135491404
(2Z)-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135725169
(2Z)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidin-4-one
CID 136000652
(2Z)-3-[4-(dimethylamino)phenyl]-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 136088945

Frequently Asked Questions

What is the IUPAC name of (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135993389) is (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is CC1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(C2CCCCC2)C1=O.
What is the InChIKey of (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is QMSNAMUILBYSGY-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-10-17(25)22(11-5-3-2-4-6-11)18(28-10)21-20-15-13-9-12(23(26)27)7-8-14(13)19-16(15)24/h7-11H,2-6H2,1H3,(H,19,20,24)/b21-18+.
What are the key properties of (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 401.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-cyclohexyl-5-methyl-2-[(Z)-(5-nitro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135993389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).