N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

C16H14N2O2S — CID 3453986

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2)sc2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-18-13-9-5-6-10-14(13)21-16(18)17-15(19)11-20-12-7-3-2-4-8-12/h2-10H,11H2,1H3/b17-16-
InChIKeyZLFDOIMWHCHRDZ-MSUUIHNZSA-N
MW298.37 g/mol
LogP2.75
Rot. Bonds3

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

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 3453986) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID3453986
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2)sc2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-18-13-9-5-6-10-14(13)21-16(18)17-15(19)11-20-12-7-3-2-4-8-12/h2-10H,11H2,1H3/b17-16-
InChIKeyZLFDOIMWHCHRDZ-MSUUIHNZSA-N
XLogP2.75
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (CID 3453986) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is Cn1/c(=N/C(=O)COc2ccccc2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is ZLFDOIMWHCHRDZ-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-18-13-9-5-6-10-14(13)21-16(18)17-15(19)11-20-12-7-3-2-4-8-12/h2-10H,11H2,1H3/b17-16-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide has a molecular weight of 298.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 3453986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).