N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C16H14N2OS — CID 790687

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C16H14N2OS/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)
InChIKeyNMOPQIFCMATAKJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.23
Rot. Bonds2

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 790687) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID790687
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C16H14N2OS/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)
InChIKeyNMOPQIFCMATAKJ-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-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 790687) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is NMOPQIFCMATAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-3-8-14-15(9-10)20-16(18-14)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]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-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 790687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).