2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C16H14N4O4S2 — CID 136781771

IUPAC2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H14N4O4S2/c1-2-24-13-7-10(6-12(15(13)21)20(22)23)8-17-19-16-18-11(9-26-16)14-4-3-5-25-14/h3-9,21H,2H2,1H3,(H,18,19)/b17-8-
InChIKeyCUSCXJFNGPFFLA-IUXPMGMMSA-N
MW390.45 g/mol
LogP4.33
Rot. Bonds7

About 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 136781771) has the molecular formula C16H14N4O4S2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID136781771
Molecular FormulaC16H14N4O4S2
Molecular Weight390.45 g/mol
Exact Mass390.05
IUPAC Name2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H14N4O4S2/c1-2-24-13-7-10(6-12(15(13)21)20(22)23)8-17-19-16-18-11(9-26-16)14-4-3-5-25-14/h3-9,21H,2H2,1H3,(H,18,19)/b17-8-
InChIKeyCUSCXJFNGPFFLA-IUXPMGMMSA-N
XLogP4.33
TPSA109.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'}

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Related Compounds

ethyl 2-[2-[(2Z)-2-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 136781750
N-[(Z)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110532539
2-methoxy-4-[(Z)-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 136781721
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110532534
4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534082
N-[(Z)-(3-ethoxy-5-nitro-4-propoxyphenyl)methylideneamino]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 110529774
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110531355
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534182
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535173

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 136781771) is 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is CUSCXJFNGPFFLA-IUXPMGMMSA-N. The full InChI is InChI=1S/C16H14N4O4S2/c1-2-24-13-7-10(6-12(15(13)21)20(22)23)8-17-19-16-18-11(9-26-16)14-4-3-5-25-14/h3-9,21H,2H2,1H3,(H,18,19)/b17-8-.
What are the key properties of 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 390.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136781771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).