N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

C16H12F2N2O2S — CID 2151170

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C16H12F2N2O2S/c1-20-15-12(18)7-10(17)8-13(15)23-16(20)19-14(21)9-22-11-5-3-2-4-6-11/h2-8H,9H2,1H3/b19-16-
InChIKeyITCHYQFZWUZCMP-MNDPQUGUSA-N
MW334.35 g/mol
LogP3.02
Rot. Bonds3

About N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 2151170) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID2151170
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C16H12F2N2O2S/c1-20-15-12(18)7-10(17)8-13(15)23-16(20)19-14(21)9-22-11-5-3-2-4-6-11/h2-8H,9H2,1H3/b19-16-
InChIKeyITCHYQFZWUZCMP-MNDPQUGUSA-N
XLogP3.02
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (CID 2151170) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(F)cc(F)c21.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is ITCHYQFZWUZCMP-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-20-15-12(18)7-10(17)8-13(15)23-16(20)19-14(21)9-22-11-5-3-2-4-6-11/h2-8H,9H2,1H3/b19-16-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide has a molecular weight of 334.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 2151170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).