N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

C22H19FN4OS — CID 86868756

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)c3cnc(-c4ccccc4F)s3)CC2)cc1
InChIInChI=1S/C22H19FN4OS/c23-19-4-2-1-3-18(19)22-25-14-20(29-22)21(28)26-16-9-11-27(12-10-16)17-7-5-15(13-24)6-8-17/h1-8,14,16H,9-12H2,(H,26,28)
InChIKeyGWWSDYMWWHMWGT-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.22
Rot. Bonds4

About N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 86868756) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID86868756
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)c3cnc(-c4ccccc4F)s3)CC2)cc1
InChIInChI=1S/C22H19FN4OS/c23-19-4-2-1-3-18(19)22-25-14-20(29-22)21(28)26-16-9-11-27(12-10-16)17-7-5-15(13-24)6-8-17/h1-8,14,16H,9-12H2,(H,26,28)
InChIKeyGWWSDYMWWHMWGT-UHFFFAOYSA-N
XLogP4.22
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 86868756) is N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is N#Cc1ccc(N2CCC(NC(=O)c3cnc(-c4ccccc4F)s3)CC2)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GWWSDYMWWHMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c23-19-4-2-1-3-18(19)22-25-14-20(29-22)21(28)26-16-9-11-27(12-10-16)17-7-5-15(13-24)6-8-17/h1-8,14,16H,9-12H2,(H,26,28).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86868756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).