N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide

C16H13FN2O2S — CID 18110682

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)NCc1nc2ccccc2s1
InChIInChI=1S/C16H13FN2O2S/c17-11-4-3-5-12(8-11)21-10-15(20)18-9-16-19-13-6-1-2-7-14(13)22-16/h1-8H,9-10H2,(H,18,20)
InChIKeySBVDMPBRMOZOOW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.13
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide (PubChem CID 18110682) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
PubChem CID18110682
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)NCc1nc2ccccc2s1
InChIInChI=1S/C16H13FN2O2S/c17-11-4-3-5-12(8-11)21-10-15(20)18-9-16-19-13-6-1-2-7-14(13)22-16/h1-8H,9-10H2,(H,18,20)
InChIKeySBVDMPBRMOZOOW-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 78810551
2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 25494031
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 43003033
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
CID 18110803
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide
CID 9050172

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide (CID 18110682) is N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide?
The InChIKey is SBVDMPBRMOZOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-11-4-3-5-12(8-11)21-10-15(20)18-9-16-19-13-6-1-2-7-14(13)22-16/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide has a molecular weight of 316.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 18110682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).