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

C19H14N2OS — CID 973124

IUPAC4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C19H14N2OS/c22-17-9-7-16(8-10-17)20-19-21-18(12-23-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-12,22H,(H,20,21)
InChIKeyMLBSVOUQVBGEQL-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.41
Rot. Bonds3

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

4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 973124) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol
PubChem CID973124
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C19H14N2OS/c22-17-9-7-16(8-10-17)20-19-21-18(12-23-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-12,22H,(H,20,21)
InChIKeyMLBSVOUQVBGEQL-UHFFFAOYSA-N
XLogP5.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.41
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-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol (CID 973124) is 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol is Oc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is MLBSVOUQVBGEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-17-9-7-16(8-10-17)20-19-21-18(12-23-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-12,22H,(H,20,21).
What are the key properties of 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol?
4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 318.40 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 973124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).