N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C22H21FN4O2S — CID 55699853

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H21FN4O2S/c1-14-19(30-21(25-14)18-8-4-5-11-24-18)20(28)26-15-9-12-27(13-10-15)22(29)16-6-2-3-7-17(16)23/h2-8,11,15H,9-10,12-13H2,1H3,(H,26,28)
InChIKeyAHLBYWGLBGTAAW-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55699853) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55699853
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H21FN4O2S/c1-14-19(30-21(25-14)18-8-4-5-11-24-18)20(28)26-15-9-12-27(13-10-15)22(29)16-6-2-3-7-17(16)23/h2-8,11,15H,9-10,12-13H2,1H3,(H,26,28)
InChIKeyAHLBYWGLBGTAAW-UHFFFAOYSA-N
XLogP3.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide 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

(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
CID 133442278
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-(2-tert-butylcyclohexyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55583530
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119562862
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 24512746
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55699853) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is AHLBYWGLBGTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-14-19(30-21(25-14)18-8-4-5-11-24-18)20(28)26-15-9-12-27(13-10-15)22(29)16-6-2-3-7-17(16)23/h2-8,11,15H,9-10,12-13H2,1H3,(H,26,28).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55699853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).