2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol

C20H14N2OS — CID 4136459

IUPAC2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccccc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C20H14N2OS/c23-18-11-10-15(21-13-14-6-2-1-3-7-14)12-16(18)20-22-17-8-4-5-9-19(17)24-20/h1-13,23H/b21-13+
InChIKeyYDPOVHKENNDPET-FYJGNVAPSA-N
MW330.41 g/mol
LogP5.42
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol

2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol (PubChem CID 4136459) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol
PubChem CID4136459
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccccc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C20H14N2OS/c23-18-11-10-15(21-13-14-6-2-1-3-7-14)12-16(18)20-22-17-8-4-5-9-19(17)24-20/h1-13,23H/b21-13+
InChIKeyYDPOVHKENNDPET-FYJGNVAPSA-N
XLogP5.42
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol (CID 4136459) is 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol is Oc1ccc(/N=C/c2ccccc2)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol?
The InChIKey is YDPOVHKENNDPET-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N2OS/c23-18-11-10-15(21-13-14-6-2-1-3-7-14)12-16(18)20-22-17-8-4-5-9-19(17)24-20/h1-13,23H/b21-13+.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol?
2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol has a molecular weight of 330.41 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-(benzylideneamino)phenol is sourced from PubChem (CID 4136459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).