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

C17H16N2OS — CID 132574675

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide
SMILESCCc1ccc(NC(C)=O)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C17H16N2OS/c1-3-12-8-9-14(18-11(2)20)13(10-12)17-19-15-6-4-5-7-16(15)21-17/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyJENPHIPODXFHFP-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.48
Rot. Bonds3

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

N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide (PubChem CID 132574675) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide
PubChem CID132574675
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide
SMILESCCc1ccc(NC(C)=O)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C17H16N2OS/c1-3-12-8-9-14(18-11(2)20)13(10-12)17-19-15-6-4-5-7-16(15)21-17/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyJENPHIPODXFHFP-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
CID 918649
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 25125097
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 953197
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
CID 46502801
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
3-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453520
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 55757331
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-propoxybenzamide
CID 3358025
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 2235201
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686685

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide (CID 132574675) is N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide is CCc1ccc(NC(C)=O)c(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide?
The InChIKey is JENPHIPODXFHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-3-12-8-9-14(18-11(2)20)13(10-12)17-19-15-6-4-5-7-16(15)21-17/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide?
N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide has a molecular weight of 296.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide is sourced from PubChem (CID 132574675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).