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

C19H22FN3O2S — CID 71842251

IUPACN-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H22FN3O2S/c1-13(24)21-11-16-12-26-19(22-16)14-6-8-23(9-7-14)18(25)10-15-4-2-3-5-17(15)20/h2-5,12,14H,6-11H2,1H3,(H,21,24)
InChIKeyNGLOZFGFEABPON-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.87
Rot. Bonds5

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

N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 71842251) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID71842251
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H22FN3O2S/c1-13(24)21-11-16-12-26-19(22-16)14-6-8-23(9-7-14)18(25)10-15-4-2-3-5-17(15)20/h2-5,12,14H,6-11H2,1H3,(H,21,24)
InChIKeyNGLOZFGFEABPON-UHFFFAOYSA-N
XLogP2.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lcl-161
CID 24737642
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 44456352
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
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CID 16032033
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl]butan-1-one
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
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide
CID 11705688
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4881245
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
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2,6-difluoro-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 71842251) is N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc(C2CCN(C(=O)Cc3ccccc3F)CC2)n1.
What is the InChIKey of N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is NGLOZFGFEABPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-13(24)21-11-16-12-26-19(22-16)14-6-8-23(9-7-14)18(25)10-15-4-2-3-5-17(15)20/h2-5,12,14H,6-11H2,1H3,(H,21,24).
What are the key properties of N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 71842251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).