1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C22H22FN5O2S — CID 42813146

IUPAC1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(C(=O)c2csc(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H22FN5O2S/c23-16-6-8-17(9-7-16)26-22-27-19(14-31-22)21(30)28-11-3-4-15(13-28)20(29)25-12-18-5-1-2-10-24-18/h1-2,5-10,14-15H,3-4,11-13H2,(H,25,29)(H,26,27)
InChIKeyMUNQJWOFDLUFCT-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.59
Rot. Bonds6

About 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 42813146) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID42813146
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC Name1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(C(=O)c2csc(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C22H22FN5O2S/c23-16-6-8-17(9-7-16)26-22-27-19(14-31-22)21(30)28-11-3-4-15(13-28)20(29)25-12-18-5-1-2-10-24-18/h1-2,5-10,14-15H,3-4,11-13H2,(H,25,29)(H,26,27)
InChIKeyMUNQJWOFDLUFCT-UHFFFAOYSA-N
XLogP3.59
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 42813188
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255
(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 93305453
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
N-(furan-2-ylmethyl)-1-[2-(4-nitroanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 46136405
N-phenyl-5-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890642
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide
CID 93305434
2-[[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244732
(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 95636192
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42813186
ethyl (3R)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 41201409

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 42813146) is 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(C(=O)c2csc(Nc3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MUNQJWOFDLUFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c23-16-6-8-17(9-7-16)26-22-27-19(14-31-22)21(30)28-11-3-4-15(13-28)20(29)25-12-18-5-1-2-10-24-18/h1-2,5-10,14-15H,3-4,11-13H2,(H,25,29)(H,26,27).
What are the key properties of 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42813146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).