N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

C18H23FN4O2S — CID 148736388

IUPACN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CCC[C@H](Oc3cc(C)nc(C)c3)C2)s1
InChIInChI=1S/C18H23FN4O2S/c1-11-7-15(8-12(2)20-11)25-14-5-4-6-23(9-14)10-16-17(19)22-18(26-16)21-13(3)24/h7-8,14H,4-6,9-10H2,1-3H3,(H,21,22,24)/t14-/m0/s1
InChIKeyOBYXKYORUFPDNY-AWEZNQCLSA-N
MW378.47 g/mol
LogP3.30
Rot. Bonds5

About N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (PubChem CID 148736388) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
PubChem CID148736388
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC NameN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CCC[C@H](Oc3cc(C)nc(C)c3)C2)s1
InChIInChI=1S/C18H23FN4O2S/c1-11-7-15(8-12(2)20-11)25-14-5-4-6-23(9-14)10-16-17(19)22-18(26-16)21-13(3)24/h7-8,14H,4-6,9-10H2,1-3H3,(H,21,22,24)/t14-/m0/s1
InChIKeyOBYXKYORUFPDNY-AWEZNQCLSA-N
XLogP3.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-(2-(4-fluorophenoxy)ethyl)-2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)acetamide
CID 49677955
N-(5-methylthiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridyl]oxy]butanamide
CID 155521580
US20240308995, Example 1-52
CID 146448588
US20240308995, Example 1-5
CID 146448589
US20240308995, Example 1-56
CID 146448590
US20240308995, Example 1-48
CID 146448601
US20240308995, Example 1-2
CID 146448604
US20240308995, Example 1-99
CID 148256762
US20240308995, Example 1-114
CID 148441798
US20240308995, Example 1-51
CID 149090854
US20240308995, Example 1-3
CID 153027227
US20240308995, Example 1-53
CID 153550300

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (CID 148736388) is N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CCC[C@H](Oc3cc(C)nc(C)c3)C2)s1.
What is the InChIKey of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The InChIKey is OBYXKYORUFPDNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-11-7-15(8-12(2)20-11)25-14-5-4-6-23(9-14)10-16-17(19)22-18(26-16)21-13(3)24/h7-8,14H,4-6,9-10H2,1-3H3,(H,21,22,24)/t14-/m0/s1.
What are the key properties of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 148736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).