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

C15H10Cl2N2OS — CID 877815

IUPAC4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C15H10Cl2N2OS/c16-12-6-1-9(7-13(12)17)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)
InChIKeyGBAUSGFNQZAZEH-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.57
Rot. Bonds3

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

4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 877815) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID877815
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C15H10Cl2N2OS/c16-12-6-1-9(7-13(12)17)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19)
InChIKeyGBAUSGFNQZAZEH-UHFFFAOYSA-N
XLogP5.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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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-(4-Nitrophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 16645659
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, 14
CID 25100732
N-aryl-4-aryl-1,3-thiazole-2-amine, 15
CID 25100733
N-aryl-4-aryl-1,3-thiazole-2-amine, 9
CID 25100738

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 877815) is 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1.
What is the InChIKey of 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is GBAUSGFNQZAZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-12-6-1-9(7-13(12)17)14-8-21-15(19-14)18-10-2-4-11(20)5-3-10/h1-8,20H,(H,18,19).
What are the key properties of 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 337.23 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 877815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).