5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide

C19H19FN2OS — CID 9270471

IUPAC5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2OS/c20-15-11-9-14(10-12-15)13-21-18(23)7-3-4-8-19-22-16-5-1-2-6-17(16)24-19/h1-2,5-6,9-12H,3-4,7-8,13H2,(H,21,23)
InChIKeyFALXZJOKHPYNET-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.46
Rot. Bonds7

About 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide

5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide (PubChem CID 9270471) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
PubChem CID9270471
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2OS/c20-15-11-9-14(10-12-15)13-21-18(23)7-3-4-8-19-22-16-5-1-2-6-17(16)24-19/h1-2,5-6,9-12H,3-4,7-8,13H2,(H,21,23)
InChIKeyFALXZJOKHPYNET-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
N-(1,3-benzodioxol-5-ylmethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9036043
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961
N-(3-anilinopropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 56541420
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892
4-(1,3-benzothiazol-2-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 56551795
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 2433698
3-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]benzamide
CID 32636652

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide (CID 9270471) is 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide is O=C(CCCCc1nc2ccccc2s1)NCc1ccc(F)cc1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
The InChIKey is FALXZJOKHPYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c20-15-11-9-14(10-12-15)13-21-18(23)7-3-4-8-19-22-16-5-1-2-6-17(16)24-19/h1-2,5-6,9-12H,3-4,7-8,13H2,(H,21,23).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide?
5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide has a molecular weight of 342.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 9270471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).