2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C16H12N4O3S — CID 135651424

IUPAC2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(-c2csc(N/N=C/c3ccccc3O)n2)c1
InChIInChI=1S/C16H12N4O3S/c21-15-7-2-1-4-12(15)9-17-19-16-18-14(10-24-16)11-5-3-6-13(8-11)20(22)23/h1-10,21H,(H,18,19)/b17-9+
InChIKeyKIJUSYPHHQQMLD-RQZCQDPDSA-N
MW340.36 g/mol
LogP3.87
Rot. Bonds5

About 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135651424) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135651424
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(-c2csc(N/N=C/c3ccccc3O)n2)c1
InChIInChI=1S/C16H12N4O3S/c21-15-7-2-1-4-12(15)9-17-19-16-18-14(10-24-16)11-5-3-6-13(8-11)20(22)23/h1-10,21H,(H,18,19)/b17-9+
InChIKeyKIJUSYPHHQQMLD-RQZCQDPDSA-N
XLogP3.87
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-{[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 16645659
4-Hydroxy-3-nitrobenzaldehyde (4-methyl-1,3-thiazol-2-yl)hydrazone
CID 135422608
4-(4-(3-Nitrophenyl)thiazol-2-ylamino)phenol
CID 3556408
3-[(E)-{(2E)-[4-(3-nitrophenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}methyl]phenol
CID 5710833
4-Hydroxy-3-nitrobenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135454414
2-Hydroxy-5-nitrobenzaldehyde (5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135460453
4-[[(6-Nitro-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol
CID 3826023
4-(3-nitrophenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71459212
2-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-4-nitrophenol
CID 135443008
2,6-dibromo-4-[(E)-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135875557
2-((4-(4-Bromo-phenyl)-thiazol-2-YL)-hydrazonomethyl)-phenol
CID 135413785
2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135651424) is 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3ccccc3O)n2)c1.
What is the InChIKey of 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is KIJUSYPHHQQMLD-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-15-7-2-1-4-12(15)9-17-19-16-18-14(10-24-16)11-5-3-6-13(8-11)20(22)23/h1-10,21H,(H,18,19)/b17-9+.
What are the key properties of 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 340.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135651424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).