N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

C21H29N3O2S — CID 110312824

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCC1CCN(C(C)CNC(=O)Cc2csc(COc3ccccc3)n2)CC1
InChIInChI=1S/C21H29N3O2S/c1-16-8-10-24(11-9-16)17(2)13-22-20(25)12-18-15-27-21(23-18)14-26-19-6-4-3-5-7-19/h3-7,15-17H,8-14H2,1-2H3,(H,22,25)
InChIKeyKZRUWRUCXPIYDD-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.50
Rot. Bonds8

About N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110312824) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110312824
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCC1CCN(C(C)CNC(=O)Cc2csc(COc3ccccc3)n2)CC1
InChIInChI=1S/C21H29N3O2S/c1-16-8-10-24(11-9-16)17(2)13-22-20(25)12-18-15-27-21(23-18)14-26-19-6-4-3-5-7-19/h3-7,15-17H,8-14H2,1-2H3,(H,22,25)
InChIKeyKZRUWRUCXPIYDD-UHFFFAOYSA-N
XLogP3.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 52516283
N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110316414
N-[2-(2-hydroxyphenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110620081
N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 154770700
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94812709
N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 97445309
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119866579
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17496137
N-butan-2-yl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 42837469

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110312824) is N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is CC1CCN(C(C)CNC(=O)Cc2csc(COc3ccccc3)n2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KZRUWRUCXPIYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-16-8-10-24(11-9-16)17(2)13-22-20(25)12-18-15-27-21(23-18)14-26-19-6-4-3-5-7-19/h3-7,15-17H,8-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 387.55 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110312824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).