2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C21H20FN5O2S — CID 67528044

IUPAC2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccnc1)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C21H20FN5O2S/c22-14-5-4-10-27(12-14)21-26-18(13-30-21)20(29)25-17-8-2-1-7-16(17)19(28)24-15-6-3-9-23-11-15/h1-3,6-9,11,13-14H,4-5,10,12H2,(H,24,28)(H,25,29)
InChIKeyLCFQRSBXEFLDGG-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.98
Rot. Bonds5

About 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 67528044) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID67528044
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccnc1)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C21H20FN5O2S/c22-14-5-4-10-27(12-14)21-26-18(13-30-21)20(29)25-17-8-2-1-7-16(17)19(28)24-15-6-3-9-23-11-15/h1-3,6-9,11,13-14H,4-5,10,12H2,(H,24,28)(H,25,29)
InChIKeyLCFQRSBXEFLDGG-UHFFFAOYSA-N
XLogP3.98
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 151079036
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67528682
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-[4-(3-fluoropyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 76739437
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332076
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 1487644
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 67528044) is 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1csc(N2CCCC(F)C2)n1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LCFQRSBXEFLDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c22-14-5-4-10-27(12-14)21-26-18(13-30-21)20(29)25-17-8-2-1-7-16(17)19(28)24-15-6-3-9-23-11-15/h1-3,6-9,11,13-14H,4-5,10,12H2,(H,24,28)(H,25,29).
What are the key properties of 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67528044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).