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

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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).