(Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine

C10H7N3O2S — CID 5365306

IUPAC(Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N\c2nccs2)cc1
InChIInChI=1S/C10H7N3O2S/c14-13(15)9-3-1-8(2-4-9)7-12-10-11-5-6-16-10/h1-7H/b12-7-
InChIKeyPHLFPZFOJXHXPC-GHXNOFRVSA-N
MW233.25 g/mol
LogP2.80
Rot. Bonds3

About (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine

(Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 5365306) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine
PubChem CID5365306
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name(Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N\c2nccs2)cc1
InChIInChI=1S/C10H7N3O2S/c14-13(15)9-3-1-8(2-4-9)7-12-10-11-5-6-16-10/h1-7H/b12-7-
InChIKeyPHLFPZFOJXHXPC-GHXNOFRVSA-N
XLogP2.80
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-pyridin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 547523
(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine
CID 11601149
1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)methanimine
CID 163203810
2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol
CID 135799788
N,N-dimethyl-4-[[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]iminomethyl]aniline
CID 5182249
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
2-(4-nitrophenyl)sulfanyl-1,3-thiazole
CID 54190351

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine (CID 5365306) is (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine is O=[N+]([O-])c1ccc(/C=N\c2nccs2)cc1.
What is the InChIKey of (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is PHLFPZFOJXHXPC-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H7N3O2S/c14-13(15)9-3-1-8(2-4-9)7-12-10-11-5-6-16-10/h1-7H/b12-7-.
What are the key properties of (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine?
(Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 233.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 5365306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).