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

C16H14N2OS — CID 851565

IUPACN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2OS/c1-11(19)17-10-12-6-8-13(9-7-12)16-18-14-4-2-3-5-15(14)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyNPLRAWOBYDIQOC-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.60
Rot. Bonds3

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

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide (PubChem CID 851565) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide
PubChem CID851565
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2OS/c1-11(19)17-10-12-6-8-13(9-7-12)16-18-14-4-2-3-5-15(14)20-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyNPLRAWOBYDIQOC-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide (CID 851565) is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide?
The InChIKey is NPLRAWOBYDIQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11(19)17-10-12-6-8-13(9-7-12)16-18-14-4-2-3-5-15(14)20-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide?
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 851565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).