N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H21FN4O2S — CID 146448589

IUPACN-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)CC[C@@H]2C)s1
InChIInChI=1S/C17H21FN4O2S/c1-11-3-5-14(24-16-6-4-13(18)7-19-16)9-22(11)10-15-8-20-17(25-15)21-12(2)23/h4,6-8,11,14H,3,5,9-10H2,1-2H3,(H,20,21,23)/t11-,14-/m0/s1
InChIKeyNBQMUKCLLDGXLR-FZMZJTMJSA-N
MW364.45 g/mol
LogP3.07
Rot. Bonds5

About N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146448589) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146448589
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC NameN-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)CC[C@@H]2C)s1
InChIInChI=1S/C17H21FN4O2S/c1-11-3-5-14(24-16-6-4-13(18)7-19-16)9-22(11)10-15-8-20-17(25-15)21-12(2)23/h4,6-8,11,14H,3,5,9-10H2,1-2H3,(H,20,21,23)/t11-,14-/m0/s1
InChIKeyNBQMUKCLLDGXLR-FZMZJTMJSA-N
XLogP3.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(6-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872298
2-(3-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 2660519
2-(2-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 4803466
2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-N-(5-methyl-thiazol-2-yl)-acetamide
CID 1443637
2-(4-fluorophenoxy)-N-[4-(2-pyridinyl)-2-thiazolyl]acetamide
CID 16550697
2-(4-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 24688073
4-[(4-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155530940
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
5-(6-Morpholino-4-phenoxypyridin-2-yl)thiazol-2-amine
CID 146173838
N-(5-methylthiazol-2-yl)-4-[[4-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155521424
N-(5-methylthiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155544176
N-[5-[[4-methoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377614

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146448589) is N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2C[C@@H](Oc3ccc(F)cn3)CC[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NBQMUKCLLDGXLR-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-11-3-5-14(24-16-6-4-13(18)7-19-16)9-22(11)10-15-8-20-17(25-15)21-12(2)23/h4,6-8,11,14H,3,5,9-10H2,1-2H3,(H,20,21,23)/t11-,14-/m0/s1.
What are the key properties of N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,5S)-5-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146448589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).