5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine

C15H11N3O2S — CID 626715

IUPAC5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C15H11N3O2S/c16-15-17-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(9-7-11)18(19)20/h1-9H,(H2,16,17)
InChIKeyDABFRTXQVAEIHW-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.97
Rot. Bonds3

About 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine

5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 626715) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID626715
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C15H11N3O2S/c16-15-17-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(9-7-11)18(19)20/h1-9H,(H2,16,17)
InChIKeyDABFRTXQVAEIHW-UHFFFAOYSA-N
XLogP3.97
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine 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

2-Amino-4,5-diphenylthiazole
CID 73222
2-Amino-4-(p-nitrophenyl)thiazole
CID 16420
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4,5-Di-p-tolyl-thiazol-2-ylamine
CID 2382939
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
4-(4-Nitrophenyl)-2-(2-(propan-2-ylidene)hydrazinyl)thiazole
CID 4042353
2-Thiazolamine, N-methyl-4-(4-nitrophenyl)-
CID 560762
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
Allyl-[4-(4-nitro-phenyl)-thiazol-2-yl]-amine
CID 1988317
2-Amino-4-(3-nitrophenyl)thiazole
CID 613504
N-aryl-4-aryl-1,3-thiazole-2-amine, 28
CID 25101047
2-(2-Cyclopentylidenehydrazinyl)-4-(4-nitrophenyl)thiazole
CID 747648

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine (CID 626715) is 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is DABFRTXQVAEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-15-17-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(9-7-11)18(19)20/h1-9H,(H2,16,17).
What are the key properties of 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 626715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).