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

C17H21FN4OS — CID 139491347

IUPACN-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H](Cc3cncc(F)c3)C2)s1
InChIInChI=1S/C17H21FN4OS/c1-12(23)21-17-20-9-16(24-17)11-22-4-2-3-13(10-22)5-14-6-15(18)8-19-7-14/h6-9,13H,2-5,10-11H2,1H3,(H,20,21,23)/t13-/m0/s1
InChIKeyYEHNOHLHMRSVDL-ZDUSSCGKSA-N
MW348.45 g/mol
LogP3.09
Rot. Bonds5

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

N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139491347) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139491347
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC NameN-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H](Cc3cncc(F)c3)C2)s1
InChIInChI=1S/C17H21FN4OS/c1-12(23)21-17-20-9-16(24-17)11-22-4-2-3-13(10-22)5-14-6-15(18)8-19-7-14/h6-9,13H,2-5,10-11H2,1H3,(H,20,21,23)/t13-/m0/s1
InChIKeyYEHNOHLHMRSVDL-ZDUSSCGKSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139491347) is N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@@H](Cc3cncc(F)c3)C2)s1.
What is the InChIKey of N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YEHNOHLHMRSVDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-12(23)21-17-20-9-16(24-17)11-22-4-2-3-13(10-22)5-14-6-15(18)8-19-7-14/h6-9,13H,2-5,10-11H2,1H3,(H,20,21,23)/t13-/m0/s1.
What are the key properties of N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139491347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).