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

C21H26FN3O2S — CID 53149367

IUPACN-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H26FN3O2S/c1-14(2)20(27)23-12-18-13-28-21(24-18)16-7-9-25(10-8-16)19(26)11-15-3-5-17(22)6-4-15/h3-6,13-14,16H,7-12H2,1-2H3,(H,23,27)
InChIKeyWSLKODDHPFUITO-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.50
Rot. Bonds6

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

N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149367) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149367
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC NameN-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H26FN3O2S/c1-14(2)20(27)23-12-18-13-28-21(24-18)16-7-9-25(10-8-16)19(26)11-15-3-5-17(22)6-4-15/h3-6,13-14,16H,7-12H2,1-2H3,(H,23,27)
InChIKeyWSLKODDHPFUITO-UHFFFAOYSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

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CID 24737642
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CID 44456352
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CID 11269712
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-methyl-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645938
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CID 11034349
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CID 11705688
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
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3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149367) is N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is WSLKODDHPFUITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-14(2)20(27)23-12-18-13-28-21(24-18)16-7-9-25(10-8-16)19(26)11-15-3-5-17(22)6-4-15/h3-6,13-14,16H,7-12H2,1-2H3,(H,23,27).
What are the key properties of N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 403.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).