4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine

C15H12N4O2S — CID 25101047

IUPAC4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESNc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1
InChIInChI=1S/C15H12N4O2S/c16-11-3-5-12(6-4-11)17-15-18-14(9-22-15)10-1-7-13(8-2-10)19(20)21/h1-9H,16H2,(H,17,18)
InChIKeyUGPJXLDHTGOAHL-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.04
Rot. Bonds4

About 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine

4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 25101047) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID25101047
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESNc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1
InChIInChI=1S/C15H12N4O2S/c16-11-3-5-12(6-4-11)17-15-18-14(9-22-15)10-1-7-13(8-2-10)19(20)21/h1-9H,16H2,(H,17,18)
InChIKeyUGPJXLDHTGOAHL-UHFFFAOYSA-N
XLogP4.04
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-Amino-4-(p-nitrophenyl)thiazole
CID 16420
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
N1-(4-(4-chlorophenyl)thiazol-2-yl)benzene-1,4-diamine
CID 672872
N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
4-(4-Nitrophenyl)-2-(2-(propan-2-ylidene)hydrazinyl)thiazole
CID 4042353
Guanidinenmethylncyanon32nguanidylthiazol4ylphen
CID 14022519
2-Thiazolamine, N-methyl-4-(4-nitrophenyl)-
CID 560762
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 25101047) is 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine is Nc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1.
What is the InChIKey of 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is UGPJXLDHTGOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-11-3-5-12(6-4-11)17-15-18-14(9-22-15)10-1-7-13(8-2-10)19(20)21/h1-9H,16H2,(H,17,18).
What are the key properties of 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 312.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 25101047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).