4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol

C15H11N3O3S — CID 16645659

IUPAC4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESO=[N+]([O-])c1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C15H11N3O3S/c19-13-7-3-11(4-8-13)16-15-17-14(9-22-15)10-1-5-12(6-2-10)18(20)21/h1-9,19H,(H,16,17)
InChIKeyPXYPXTOUOYAWOU-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.17
Rot. Bonds4

About 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol

4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 16645659) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID16645659
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESO=[N+]([O-])c1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C15H11N3O3S/c19-13-7-3-11(4-8-13)16-15-17-14(9-22-15)10-1-5-12(6-2-10)18(20)21/h1-9,19H,(H,16,17)
InChIKeyPXYPXTOUOYAWOU-UHFFFAOYSA-N
XLogP4.17
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol 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

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-(Methyl(4-phenylthiazol-2-yl)amino)phenol
CID 649391
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877529
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
N-aryl-4-aryl-1,3-thiazole-2-amine, 17
CID 25100735
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
3-[[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 694593
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 16645659) is 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol is O=[N+]([O-])c1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is PXYPXTOUOYAWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-13-7-3-11(4-8-13)16-15-17-14(9-22-15)10-1-5-12(6-2-10)18(20)21/h1-9,19H,(H,16,17).
What are the key properties of 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 313.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 16645659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).