2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide

C22H26FN5OS — CID 138996978

IUPAC2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide
SMILESCc1cc(N2CCC(NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)CC2)n[nH]1
InChIInChI=1S/C22H26FN5OS/c1-14-12-19(27-26-14)28-10-8-15(9-11-28)24-21(29)22(2,3)18-13-30-20(25-18)16-6-4-5-7-17(16)23/h4-7,12-13,15H,8-11H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyJUEOMYGKGHASQX-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide

2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide (PubChem CID 138996978) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide
PubChem CID138996978
Molecular FormulaC22H26FN5OS
Molecular Weight427.55 g/mol
Exact Mass427.18
IUPAC Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide
SMILESCc1cc(N2CCC(NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)CC2)n[nH]1
InChIInChI=1S/C22H26FN5OS/c1-14-12-19(27-26-14)28-10-8-15(9-11-28)24-21(29)22(2,3)18-13-30-20(25-18)16-6-4-5-7-17(16)23/h4-7,12-13,15H,8-11H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyJUEOMYGKGHASQX-UHFFFAOYSA-N
XLogP4.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide (CID 138996978) is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide is Cc1cc(N2CCC(NC(=O)C(C)(C)c3csc(-c4ccccc4F)n3)CC2)n[nH]1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide?
The InChIKey is JUEOMYGKGHASQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-14-12-19(27-26-14)28-10-8-15(9-11-28)24-21(29)22(2,3)18-13-30-20(25-18)16-6-4-5-7-17(16)23/h4-7,12-13,15H,8-11H2,1-3H3,(H,24,29)(H,26,27).
What are the key properties of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide?
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 138996978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).