(Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine

C12H11N3O2S — CID 5403911

IUPAC(Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine
SMILESCc1nc(/N=C\c2ccccc2[N+](=O)[O-])sc1C
InChIInChI=1S/C12H11N3O2S/c1-8-9(2)18-12(14-8)13-7-10-5-3-4-6-11(10)15(16)17/h3-7H,1-2H3/b13-7-
InChIKeyGCFSNBZPJAFYCP-QPEQYQDCSA-N
MW261.31 g/mol
LogP3.42
Rot. Bonds3

About (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine

(Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine (PubChem CID 5403911) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine
PubChem CID5403911
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name(Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine
SMILESCc1nc(/N=C\c2ccccc2[N+](=O)[O-])sc1C
InChIInChI=1S/C12H11N3O2S/c1-8-9(2)18-12(14-8)13-7-10-5-3-4-6-11(10)15(16)17/h3-7H,1-2H3/b13-7-
InChIKeyGCFSNBZPJAFYCP-QPEQYQDCSA-N
XLogP3.42
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.42
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

5-[(E)-(2-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 117059661
2-(1,3-benzothiazol-2-yliminomethyl)-6-nitrophenol
CID 135953850
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 18084528
N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
CID 794546
(E)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-[2-[(E)-(6-nitro-1,3-benzothiazol-2-yl)iminomethyl]phenyl]methanimine
CID 71522068
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
(E)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]-1-(2-nitrophenyl)methanimine
CID 10811674
5-methyl-N-[(2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4057416
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
CID 1378215
1-(2-nitrophenyl)-N-[4-[[4-[(2-nitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine
CID 87673126

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine (CID 5403911) is (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine is Cc1nc(/N=C\c2ccccc2[N+](=O)[O-])sc1C.
What is the InChIKey of (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine?
The InChIKey is GCFSNBZPJAFYCP-QPEQYQDCSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-9(2)18-12(14-8)13-7-10-5-3-4-6-11(10)15(16)17/h3-7H,1-2H3/b13-7-.
What are the key properties of (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine?
(Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine has a molecular weight of 261.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 5403911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).