N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

C23H20N4O2S2 — CID 23964786

IUPACN-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1ccc(C)c(C)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O2S2/c1-15-6-9-19(13-16(15)2)24-23-26(21(14-31-23)22-5-4-12-30-22)25-17(3)18-7-10-20(11-8-18)27(28)29/h4-14H,1-3H3/b24-23-,25-17?
InChIKeyFAEBNZJNEKDXAG-FURJNMMNSA-N
MW448.57 g/mol
LogP6.31
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23964786) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23964786
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC NameN-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1ccc(C)c(C)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N4O2S2/c1-15-6-9-19(13-16(15)2)24-23-26(21(14-31-23)22-5-4-12-30-22)25-17(3)18-7-10-20(11-8-18)27(28)29/h4-14H,1-3H3/b24-23-,25-17?
InChIKeyFAEBNZJNEKDXAG-FURJNMMNSA-N
XLogP6.31
TPSA72.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.31
H-Bond Donors ≤ 50
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'}

Analyze N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-3-[1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23993638
3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740219
4-[N-[2-(3,4-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135739971
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-N-(4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23828194
4-[C-methyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]carbonimidoyl]benzonitrile
CID 23761472
3-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-N-(2-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23961993
2-(2-methyl-5-nitrophenyl)thiophene
CID 57000344
3-[1-(4-methylphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23767388
N-[3-[(Z)-N-[2-(3,4-dimethylphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenyl]acetamide
CID 6265872
N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23907971
N-(2,4-dimethylphenyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23935653
4-[C-methyl-N-[4-(4-nitrophenyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazol-3-yl]carbonimidoyl]benzene-1,3-diol
CID 135719459

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23964786) is N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is CC(=Nn1c(-c2cccs2)cs/c1=N\c1ccc(C)c(C)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is FAEBNZJNEKDXAG-FURJNMMNSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-15-6-9-19(13-16(15)2)24-23-26(21(14-31-23)22-5-4-12-30-22)25-17(3)18-7-10-20(11-8-18)27(28)29/h4-14H,1-3H3/b24-23-,25-17?.
What are the key properties of N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 448.57 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23964786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).