N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide

C16H14N2O2S — CID 2103273

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
SMILESCc1nc2ccc(NC(=O)COc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S/c1-11-17-14-8-7-12(9-15(14)21-11)18-16(19)10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVQCBHSDTMDTNQF-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.62
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide (PubChem CID 2103273) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
PubChem CID2103273
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
SMILESCc1nc2ccc(NC(=O)COc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S/c1-11-17-14-8-7-12(9-15(14)21-11)18-16(19)10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyVQCBHSDTMDTNQF-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide (CID 2103273) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide is Cc1nc2ccc(NC(=O)COc3ccccc3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
The InChIKey is VQCBHSDTMDTNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-17-14-8-7-12(9-15(14)21-11)18-16(19)10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide has a molecular weight of 298.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide is sourced from PubChem (CID 2103273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).