3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide

C17H15FN2OS — CID 2107270

IUPAC3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NCc1ccccc1F
InChIInChI=1S/C17H15FN2OS/c18-13-6-2-1-5-12(13)11-19-16(21)9-10-17-20-14-7-3-4-8-15(14)22-17/h1-8H,9-11H2,(H,19,21)
InChIKeyDXUVPBZCLJBWRB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.68
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 2107270) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID2107270
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NCc1ccccc1F
InChIInChI=1S/C17H15FN2OS/c18-13-6-2-1-5-12(13)11-19-16(21)9-10-17-20-14-7-3-4-8-15(14)22-17/h1-8H,9-11H2,(H,19,21)
InChIKeyDXUVPBZCLJBWRB-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]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

Benthiavalicarb
CID 20593234
2-(4-Aminophenyl)benzothiazole
CID 234475
3-(1,3-Benzothiazol-2-yl)aniline
CID 720999
2-(1,3-Benzothiazol-2-yl)aniline
CID 667680
(2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 23646580
(2S)-N-[5-carbamimidamido-1-(6-fluoro-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646610
3-((2-Benzothiazolylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453437
(1R,2R)-2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 10269099
N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 9983685
6EL8B8Q1UH
CID 46207982
4-(6-fluoro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 46207983
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide (CID 2107270) is 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide is O=C(CCc1nc2ccccc2s1)NCc1ccccc1F.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is DXUVPBZCLJBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c18-13-6-2-1-5-12(13)11-19-16(21)9-10-17-20-14-7-3-4-8-15(14)22-17/h1-8H,9-11H2,(H,19,21).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 314.38 g/mol, XLogP of 3.68, 5 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-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 2107270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).