N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide

C15H12N2O2S — CID 677930

IUPACN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2O2S/c1-9(18)16-10-6-7-13(19)11(8-10)15-17-12-4-2-3-5-14(12)20-15/h2-8,19H,1H3,(H,16,18)
InChIKeyLEZRECMJLAVILH-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.63
Rot. Bonds2

About N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide

N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide (PubChem CID 677930) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide
PubChem CID677930
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2O2S/c1-9(18)16-10-6-7-13(19)11(8-10)15-17-12-4-2-3-5-14(12)20-15/h2-8,19H,1H3,(H,16,18)
InChIKeyLEZRECMJLAVILH-UHFFFAOYSA-N
XLogP3.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.63
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 N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide (CID 677930) is N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
The InChIKey is LEZRECMJLAVILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9(18)16-10-6-7-13(19)11(8-10)15-17-12-4-2-3-5-14(12)20-15/h2-8,19H,1H3,(H,16,18).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide?
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide has a molecular weight of 284.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 677930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).