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

C16H14N2OS — CID 739214

IUPACN-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C16H14N2OS/c1-10-12(6-5-8-13(10)17-11(2)19)16-18-14-7-3-4-9-15(14)20-16/h3-9H,1-2H3,(H,17,19)
InChIKeyTYSFROYIJNFKPK-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.23
Rot. Bonds2

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

N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 739214) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide
PubChem CID739214
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C16H14N2OS/c1-10-12(6-5-8-13(10)17-11(2)19)16-18-14-7-3-4-9-15(14)20-16/h3-9H,1-2H3,(H,17,19)
InChIKeyTYSFROYIJNFKPK-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide (CID 739214) is N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide is CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide?
The InChIKey is TYSFROYIJNFKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-12(6-5-8-13(10)17-11(2)19)16-18-14-7-3-4-9-15(14)20-16/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide?
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 739214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).