3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide

C17H15FN2OS — CID 17493962

IUPAC3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2nc3ccccc3s2)c1
InChIInChI=1S/C17H15FN2OS/c1-11-6-7-12(18)14(10-11)19-16(21)8-9-17-20-13-4-2-3-5-15(13)22-17/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyIYWQOAMUYJMYLY-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.32
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide (PubChem CID 17493962) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
PubChem CID17493962
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2nc3ccccc3s2)c1
InChIInChI=1S/C17H15FN2OS/c1-11-6-7-12(18)14(10-11)19-16(21)8-9-17-20-13-4-2-3-5-15(13)22-17/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyIYWQOAMUYJMYLY-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide 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

5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7980639
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 41464695
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8802197
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
1,3-benzothiazol-2-ylmethyl-[2-(2,5-difluoroanilino)-2-oxoethyl]-methylazanium
CID 8802166
N-[2-(1,3-benzothiazol-2-ylmethoxymethyl)-5-methylphenyl]-2-chloroacetamide
CID 155581512
3-(1,3-benzothiazol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 43004526
N-(4-amino-3,5-dichlorophenyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 27161149

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide (CID 17493962) is 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide is Cc1ccc(F)c(NC(=O)CCc2nc3ccccc3s2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
The InChIKey is IYWQOAMUYJMYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-11-6-7-12(18)14(10-11)19-16(21)8-9-17-20-13-4-2-3-5-15(13)22-17/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 17493962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).