N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline

C17H15N5O2S — CID 49309458

IUPACN-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline
SMILESC/C(=N/Nc1ccccc1[N+](=O)[O-])c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C17H15N5O2S/c1-11-16(25-17(19-11)13-6-5-9-18-10-13)12(2)20-21-14-7-3-4-8-15(14)22(23)24/h3-10,21H,1-2H3/b20-12-
InChIKeyYIXNKEIPEOOWSX-NDENLUEZSA-N
MW353.41 g/mol
LogP4.26
Rot. Bonds5

About N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline

N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline (PubChem CID 49309458) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline
PubChem CID49309458
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline
SMILESC/C(=N/Nc1ccccc1[N+](=O)[O-])c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C17H15N5O2S/c1-11-16(25-17(19-11)13-6-5-9-18-10-13)12(2)20-21-14-7-3-4-8-15(14)22(23)24/h3-10,21H,1-2H3/b20-12-
InChIKeyYIXNKEIPEOOWSX-NDENLUEZSA-N
XLogP4.26
TPSA93.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.26
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'}

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Related Compounds

6-methyl-2-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxy-5-nitropyrimidin-4-amine
CID 123399208
N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline
CID 127049240
2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
(E)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 90440045
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724507
2-[(Z)-C-methyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135403129
N-[(E)-3-methylbutan-2-ylideneamino]-2-nitroaniline
CID 12591072
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]benzene-1,3-diol;hydrate
CID 139083211
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
CID 9059030
6-methyl-3-nitro-2-pyridin-3-ylpyridine
CID 46316012
6-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]oxypyridine-3-carbonitrile
CID 123186441
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-nitroaniline
CID 9059152

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline?
The IUPAC name of N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline (CID 49309458) is N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline.
What is the SMILES notation for N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline?
The canonical SMILES for N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline is C/C(=N/Nc1ccccc1[N+](=O)[O-])c1sc(-c2cccnc2)nc1C.
What is the InChIKey of N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline?
The InChIKey is YIXNKEIPEOOWSX-NDENLUEZSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11-16(25-17(19-11)13-6-5-9-18-10-13)12(2)20-21-14-7-3-4-8-15(14)22(23)24/h3-10,21H,1-2H3/b20-12-.
What are the key properties of N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline?
N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline has a molecular weight of 353.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylideneamino]-2-nitroaniline is sourced from PubChem (CID 49309458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).