N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide

C17H14N2OS — CID 91356894

IUPACN-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
SMILESC=Cc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1
InChIInChI=1S/C17H14N2OS/c1-2-12-4-3-5-13(8-12)9-17(20)19-14-6-7-15-16(10-14)21-11-18-15/h2-8,10-11H,1,9H2,(H,19,20)
InChIKeyOISJJLKOOBZQHQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.12
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide

N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide (PubChem CID 91356894) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
PubChem CID91356894
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
SMILESC=Cc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1
InChIInChI=1S/C17H14N2OS/c1-2-12-4-3-5-13(8-12)9-17(20)19-14-6-7-15-16(10-14)21-11-18-15/h2-8,10-11H,1,9H2,(H,19,20)
InChIKeyOISJJLKOOBZQHQ-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide
CID 68556665
N-(1,3-benzothiazol-6-yl)-2-(3-hex-2-ynoxyphenyl)acetamide
CID 91389846
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
2-(3-ethenylphenyl)-N-[4-[4-[[2-(3-ethenylphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 70140557
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41085216
N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide
CID 68558882
N-(1,3-benzothiazol-6-yl)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]acetamide
CID 68558974
N-(1,3-benzothiazol-6-yl)-2-[2-fluoro-3-[(E)-hept-3-enoxy]phenyl]acetamide
CID 68562053
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide
CID 18585528
(E)-4-(1,3-benzothiazol-6-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 107805868

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide (CID 91356894) is N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide is C=Cc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide?
The InChIKey is OISJJLKOOBZQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-2-12-4-3-5-13(8-12)9-17(20)19-14-6-7-15-16(10-14)21-11-18-15/h2-8,10-11H,1,9H2,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide is sourced from PubChem (CID 91356894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).