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

C17H19FN4OS — CID 129251530

IUPACN-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(F)nc3)CC2)s1
InChIInChI=1S/C17H19FN4OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,20,21,23)
InChIKeyZMZSTQDRZKEQHF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.32
Rot. Bonds4

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

N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251530) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251530
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(F)nc3)CC2)s1
InChIInChI=1S/C17H19FN4OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,20,21,23)
InChIKeyZMZSTQDRZKEQHF-UHFFFAOYSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251530) is N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(F)nc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZMZSTQDRZKEQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(6-fluoro-3-pyridinyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).