N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C20H23F2N3O2S — CID 53149430

IUPACN-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1
InChIInChI=1S/C20H23F2N3O2S/c1-12(2)18(26)23-9-17-11-28-19(24-17)13-4-3-5-25(10-13)20(27)14-6-15(21)8-16(22)7-14/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,23,26)
InChIKeySXRWIFOISGROQU-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.71
Rot. Bonds5

About N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149430) has the molecular formula C20H23F2N3O2S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149430
Molecular FormulaC20H23F2N3O2S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1
InChIInChI=1S/C20H23F2N3O2S/c1-12(2)18(26)23-9-17-11-28-19(24-17)13-4-3-5-25(10-13)20(27)14-6-15(21)8-16(22)7-14/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,23,26)
InChIKeySXRWIFOISGROQU-UHFFFAOYSA-N
XLogP3.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3S)-1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097145
N-[[2-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097143
2-methyl-N-[[2-[1-(3-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842059
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
2-methyl-N-[[2-[1-(2-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 53149441
N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 71842063
N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149424
N-[[2-[(3R)-1-(2,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 95097122
2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841752
2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 95097328
N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842105
N-[[2-[(3S)-1-(3-cyanophenyl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097227

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149430) is N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1.
What is the InChIKey of N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is SXRWIFOISGROQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2S/c1-12(2)18(26)23-9-17-11-28-19(24-17)13-4-3-5-25(10-13)20(27)14-6-15(21)8-16(22)7-14/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 407.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).