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

C19H25FN4O2S — CID 146448590

IUPACN-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@@H](Oc3cc(C)nc(C)c3)CC[C@@H]2C)s1
InChIInChI=1S/C19H25FN4O2S/c1-11-7-16(8-12(2)21-11)26-15-6-5-13(3)24(9-15)10-17-18(20)23-19(27-17)22-14(4)25/h7-8,13,15H,5-6,9-10H2,1-4H3,(H,22,23,25)/t13-,15-/m0/s1
InChIKeyABVXULXCYFKTDB-ZFWWWQNUSA-N
MW392.50 g/mol
LogP3.68
Rot. Bonds5

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

N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (PubChem CID 146448590) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
PubChem CID146448590
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC NameN-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@@H](Oc3cc(C)nc(C)c3)CC[C@@H]2C)s1
InChIInChI=1S/C19H25FN4O2S/c1-11-7-16(8-12(2)21-11)26-15-6-5-13(3)24(9-15)10-17-18(20)23-19(27-17)22-14(4)25/h7-8,13,15H,5-6,9-10H2,1-4H3,(H,22,23,25)/t13-,15-/m0/s1
InChIKeyABVXULXCYFKTDB-ZFWWWQNUSA-N
XLogP3.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-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
US20240308995, Example 1-52
CID 146448588
US20240308995, Example 1-5
CID 146448589
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 1-54
CID 148736388
US20240308995, Example 1-51
CID 149090854
US20240308995, Example 1-98
CID 149310539
US20240308995, Example 1-11
CID 152930826
US20240308995, Example 1-3
CID 153027227

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (CID 146448590) is N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@@H](Oc3cc(C)nc(C)c3)CC[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The InChIKey is ABVXULXCYFKTDB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-11-7-16(8-12(2)21-11)26-15-6-5-13(3)24(9-15)10-17-18(20)23-19(27-17)22-14(4)25/h7-8,13,15H,5-6,9-10H2,1-4H3,(H,22,23,25)/t13-,15-/m0/s1.
What are the key properties of N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,5S)-5-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.68, 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-[(2,6-dimethyl-4-pyridinyl)oxy]-2-methylpiperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146448590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).