(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C15H18N4O3S — CID 127039380

IUPAC(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCC(CC)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H18N4O3S/c1-3-12(4-2)16-17-15-18(14(20)10-23-15)9-11-5-7-13(8-6-11)19(21)22/h5-8H,3-4,9-10H2,1-2H3/b17-15-
InChIKeyCSVATAKEAXPNAD-ICFOKQHNSA-N
MW334.40 g/mol
LogP3.20
Rot. Bonds6

About (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 127039380) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID127039380
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCCC(CC)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H18N4O3S/c1-3-12(4-2)16-17-15-18(14(20)10-23-15)9-11-5-7-13(8-6-11)19(21)22/h5-8H,3-4,9-10H2,1-2H3/b17-15-
InChIKeyCSVATAKEAXPNAD-ICFOKQHNSA-N
XLogP3.20
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-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

(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 127039840
3-[(4-ethoxyphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 1420863
3-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 1422805
(2Z)-3-[(2-nitrophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 127048823
1-[(4-nitrophenyl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7975840
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135699720
(2S)-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 139060052
2-(2,6-dichloro-4-nitrophenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
CID 22951282
3-tert-butyl-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 4176872
(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126102943
(3aS,7aS)-2-[(4-nitrophenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952246

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 127039380) is (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CCC(CC)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is CSVATAKEAXPNAD-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-3-12(4-2)16-17-15-18(14(20)10-23-15)9-11-5-7-13(8-6-11)19(21)22/h5-8H,3-4,9-10H2,1-2H3/b17-15-.
What are the key properties of (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 334.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-nitrophenyl)methyl]-2-(pentan-3-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127039380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).