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

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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).