N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H23FN5O3S+ — CID 172640707

IUPACN-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(C[NH+]2CC[C@H](OCc3noc(C)n3)C[C@@H]2C)s1
InChIInChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/p+1/t9-,12-/m0/s1
InChIKeyFRVXHWNHGWUTQO-CABZTGNLSA-O
MW384.46 g/mol
LogP1.08
Rot. Bonds6

About N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 172640707) has the molecular formula C16H23FN5O3S+ and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID172640707
Molecular FormulaC16H23FN5O3S+
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC NameN-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(C[NH+]2CC[C@H](OCc3noc(C)n3)C[C@@H]2C)s1
InChIInChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/p+1/t9-,12-/m0/s1
InChIKeyFRVXHWNHGWUTQO-CABZTGNLSA-O
XLogP1.08
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

ethane;N-[4-fluoro-5-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142406789
N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158309703
3-[3-[[(3S,5S)-1-[(2-acetamido-4-fluoro-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
CID 139500328
(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid
CID 135260646
tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate
CID 135271418
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexyl]methanol
CID 106825361
N-[4-fluoro-5-[[(2S,4R)-4-(5-fluoropyrimidin-2-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 156777377
N-[4-fluoro-5-[(4-furo[3,2-d]pyrimidin-4-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 155055101
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
CID 139500954
N-[4-fluoro-5-[(2-methyl-4-pyrazolo[1,5-a]pyrimidin-7-yloxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 155055333
N-[4-fluoro-5-[[(2S,4R)-4-(6-methoxy(4,5,6-13C3)pyrimidin-4-yl)oxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 172747783
N-[4-fluoro-5-[(4-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 155055260

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 172640707) is N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(C[NH+]2CC[C@H](OCc3noc(C)n3)C[C@@H]2C)s1.
What is the InChIKey of N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FRVXHWNHGWUTQO-CABZTGNLSA-O. The full InChI is InChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/p+1/t9-,12-/m0/s1.
What are the key properties of N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 172640707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).