2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide

C23H21F2N3O2S — CID 86967605

IUPAC2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1)c1ccccc1F
InChIInChI=1S/C23H21F2N3O2S/c24-18-7-3-1-5-15(18)13-21-27-20(14-31-21)23(30)28-11-9-16(10-12-28)26-22(29)17-6-2-4-8-19(17)25/h1-8,14,16H,9-13H2,(H,26,29)
InChIKeyVJTYHTQNAUSLQT-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.05
Rot. Bonds5

About 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide

2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide (PubChem CID 86967605) has the molecular formula C23H21F2N3O2S and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
PubChem CID86967605
Molecular FormulaC23H21F2N3O2S
Molecular Weight441.50 g/mol
Exact Mass441.13
IUPAC Name2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1)c1ccccc1F
InChIInChI=1S/C23H21F2N3O2S/c24-18-7-3-1-5-15(18)13-21-27-20(14-31-21)23(30)28-11-9-16(10-12-28)26-22(29)17-6-2-4-8-19(17)25/h1-8,14,16H,9-13H2,(H,26,29)
InChIKeyVJTYHTQNAUSLQT-UHFFFAOYSA-N
XLogP4.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166749
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
3-[(3R)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124702022
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 99639921
2-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114227
(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
CID 56792147

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide (CID 86967605) is 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is VJTYHTQNAUSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2S/c24-18-7-3-1-5-15(18)13-21-27-20(14-31-21)23(30)28-11-9-16(10-12-28)26-22(29)17-6-2-4-8-19(17)25/h1-8,14,16H,9-13H2,(H,26,29).
What are the key properties of 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 441.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 86967605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).