N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide

C18H22FN3OS — CID 134809825

IUPACN-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(F)c3)s2)CC1
InChIInChI=1S/C18H22FN3OS/c1-13(23)21-18(2)6-8-22(9-7-18)12-16-11-20-17(24-16)14-4-3-5-15(19)10-14/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,23)
InChIKeyZBBZFMIOJDIUQP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.44
Rot. Bonds4

About N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide

N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 134809825) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID134809825
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(F)c3)s2)CC1
InChIInChI=1S/C18H22FN3OS/c1-13(23)21-18(2)6-8-22(9-7-18)12-16-11-20-17(24-16)14-4-3-5-15(19)10-14/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,23)
InChIKeyZBBZFMIOJDIUQP-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide (CID 134809825) is N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(F)c3)s2)CC1.
What is the InChIKey of N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is ZBBZFMIOJDIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-13(23)21-18(2)6-8-22(9-7-18)12-16-11-20-17(24-16)14-4-3-5-15(19)10-14/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134809825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).