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

C16H14N2O2S — CID 46845966

IUPACN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc2nc(-c3ccc(NC(C)=O)cc3)sc2c1
InChIInChI=1S/C16H14N2O2S/c1-10(19)17-12-5-3-11(4-6-12)16-18-14-8-7-13(20-2)9-15(14)21-16/h3-9H,1-2H3,(H,17,19)
InChIKeyYKOKCLGXOKQLPC-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.93
Rot. Bonds3

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

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 46845966) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID46845966
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc2nc(-c3ccc(NC(C)=O)cc3)sc2c1
InChIInChI=1S/C16H14N2O2S/c1-10(19)17-12-5-3-11(4-6-12)16-18-14-8-7-13(20-2)9-15(14)21-16/h3-9H,1-2H3,(H,17,19)
InChIKeyYKOKCLGXOKQLPC-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 57393591
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
2,2,2-trifluoro-N-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]acetamide
CID 88927311
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 67311851
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3,4-dinitrobenzamide
CID 87322286
3-chloro-6-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4514238
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
4-hydroxy-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
CID 67313299
2-fluoro-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
CID 151332442
2-(4-methoxyphenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]acetamide
CID 5169288

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 46845966) is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide is COc1ccc2nc(-c3ccc(NC(C)=O)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is YKOKCLGXOKQLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10(19)17-12-5-3-11(4-6-12)16-18-14-8-7-13(20-2)9-15(14)21-16/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide?
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 46845966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).