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

C15H11BrN2OS — CID 877529

IUPAC4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C15H11BrN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKeyKPCBAICAWILTJY-UHFFFAOYSA-N
MW347.24 g/mol
LogP5.02
Rot. Bonds3

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

4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 877529) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID877529
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC Name4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C15H11BrN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKeyKPCBAICAWILTJY-UHFFFAOYSA-N
XLogP5.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.24
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 877529) is 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is KPCBAICAWILTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18).
What are the key properties of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 347.24 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 877529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).