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

C21H16N2O2S — CID 78837215

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C21H16N2O2S/c24-17-10-8-14(9-11-17)12-20(25)22-16-5-3-4-15(13-16)21-23-18-6-1-2-7-19(18)26-21/h1-11,13,24H,12H2,(H,22,25)
InChIKeyQBCWUPHOOBAUDH-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.85
Rot. Bonds4

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

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 78837215) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID78837215
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C21H16N2O2S/c24-17-10-8-14(9-11-17)12-20(25)22-16-5-3-4-15(13-16)21-23-18-6-1-2-7-19(18)26-21/h1-11,13,24H,12H2,(H,22,25)
InChIKeyQBCWUPHOOBAUDH-UHFFFAOYSA-N
XLogP4.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
S-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ethanethioate
CID 16949140
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 8610050
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 3454814
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 40723014
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832
4-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]butanamide
CID 18585740
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
tert-butyl N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-methylcarbamate
CID 56520607
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 5016157
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide (CID 78837215) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is QBCWUPHOOBAUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-17-10-8-14(9-11-17)12-20(25)22-16-5-3-4-15(13-16)21-23-18-6-1-2-7-19(18)26-21/h1-11,13,24H,12H2,(H,22,25).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 4.85, 4 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)phenyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 78837215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).