N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C16H19FN4OS — CID 125143148

IUPACN-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCC(F)(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H19FN4OS/c1-12(22)19-15-20-13(11-23-15)10-21-8-5-16(17,6-9-21)14-4-2-3-7-18-14/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,20,22)
InChIKeyACWNYXSHTZMYJK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds4

About N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 125143148) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID125143148
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC NameN-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCC(F)(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H19FN4OS/c1-12(22)19-15-20-13(11-23-15)10-21-8-5-16(17,6-9-21)14-4-2-3-7-18-14/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,20,22)
InChIKeyACWNYXSHTZMYJK-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 13345423
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 31629348
3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119902916
N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29437348
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]acetamide
CID 29173280
2-methyl-4-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171689843
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 125143148) is N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCC(F)(c3ccccn3)CC2)cs1.
What is the InChIKey of N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ACWNYXSHTZMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-12(22)19-15-20-13(11-23-15)10-21-8-5-16(17,6-9-21)14-4-2-3-7-18-14/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,20,22).
What are the key properties of N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 125143148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).