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

C26H23F2N3OS — CID 69063685

IUPACN-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1cc(-c2ccc3scnc3c2)ccc1F)C1CCNCC1
InChIInChI=1S/C26H23F2N3OS/c27-21-5-1-17(2-6-21)26(32)31(22-9-11-29-12-10-22)15-20-13-18(3-7-23(20)28)19-4-8-25-24(14-19)30-16-33-25/h1-8,13-14,16,22,29H,9-12,15H2
InChIKeyIFNPGQHZHBZEMP-UHFFFAOYSA-N
MW463.55 g/mol
LogP5.64
Rot. Bonds5

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

N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide (PubChem CID 69063685) has the molecular formula C26H23F2N3OS and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide
PubChem CID69063685
Molecular FormulaC26H23F2N3OS
Molecular Weight463.55 g/mol
Exact Mass463.15
IUPAC NameN-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1cc(-c2ccc3scnc3c2)ccc1F)C1CCNCC1
InChIInChI=1S/C26H23F2N3OS/c27-21-5-1-17(2-6-21)26(32)31(22-9-11-29-12-10-22)15-20-13-18(3-7-23(20)28)19-4-8-25-24(14-19)30-16-33-25/h1-8,13-14,16,22,29H,9-12,15H2
InChIKeyIFNPGQHZHBZEMP-UHFFFAOYSA-N
XLogP5.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide with MolForge

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Related Compounds

2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
1-(1,3-benzothiazol-5-yl)-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione
CID 11646862
N-[[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]naphthalene-2-carboxamide
CID 137650571
N-(1,3-benzothiazol-5-yl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 145963166
1,3-Benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 7494496
2-Fluoro-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-YL)ethyl]sulfanyl}-1,3-benzothiazol-6-YL)benzamide
CID 16015653
N-(4-(benzo[d]thiazol-2-yl)phenyl)-3-(dimethylamino)benzamide
CID 16033302
N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-2-fluorobenzamide
CID 16033354
N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-3-methylbenzamide
CID 16033358

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide (CID 69063685) is N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide is O=C(c1ccc(F)cc1)N(Cc1cc(-c2ccc3scnc3c2)ccc1F)C1CCNCC1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide?
The InChIKey is IFNPGQHZHBZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3OS/c27-21-5-1-17(2-6-21)26(32)31(22-9-11-29-12-10-22)15-20-13-18(3-7-23(20)28)19-4-8-25-24(14-19)30-16-33-25/h1-8,13-14,16,22,29H,9-12,15H2.
What are the key properties of N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide?
N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide has a molecular weight of 463.55 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-5-yl)-2-fluorophenyl]methyl]-4-fluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 69063685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).