(2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one

C12H8N4O3S2 — CID 136969154

IUPAC(2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)N1
InChIInChI=1S/C12H8N4O3S2/c17-10-6-21-12(14-10)15-11-13-9(5-20-11)7-1-3-8(4-2-7)16(18)19/h1-5H,6H2,(H,13,14,15,17)
InChIKeyUGQVBGOXPMGUDQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.57
Rot. Bonds3

About (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one

(2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one (PubChem CID 136969154) has the molecular formula C12H8N4O3S2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one
PubChem CID136969154
Molecular FormulaC12H8N4O3S2
Molecular Weight320.36 g/mol
Exact Mass320.00
IUPAC Name(2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)N1
InChIInChI=1S/C12H8N4O3S2/c17-10-6-21-12(14-10)15-11-13-9(5-20-11)7-1-3-8(4-2-7)16(18)19/h1-5H,6H2,(H,13,14,15,17)
InChIKeyUGQVBGOXPMGUDQ-UHFFFAOYSA-N
XLogP2.57
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-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

5-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]diazenyl]-1,3-diazinane-2,4,6-trione
CID 132509012
2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184938
(2Z)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958588
(2E)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135779965
4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate
CID 135851503
[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-[1-(1,3-thiazol-2-yl)ethyl]diazene
CID 91929539
N-methyl-1-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanamine
CID 4550670
4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 51133534
N-[(4-fluorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 5182877
(2S,6S)-2,6-dimethyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]morpholine
CID 777785
4-(4-nitrophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 63332999
N-tert-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 8963286

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one (CID 136969154) is (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one is O=C1CS/C(=N/c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)N1.
What is the InChIKey of (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The InChIKey is UGQVBGOXPMGUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S2/c17-10-6-21-12(14-10)15-11-13-9(5-20-11)7-1-3-8(4-2-7)16(18)19/h1-5H,6H2,(H,13,14,15,17).
What are the key properties of (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one?
(2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one has a molecular weight of 320.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136969154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).