N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide

C16H21N3O2S — CID 50954926

IUPACN-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)C(C)c1nccs1
InChIInChI=1S/C16H21N3O2S/c1-12(16-17-8-9-22-16)19(2)11-15(20)18-10-13-6-4-5-7-14(13)21-3/h4-9,12H,10-11H2,1-3H3,(H,18,20)
InChIKeyBBEJJOBLONWDKB-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.46
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide

N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide (PubChem CID 50954926) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
PubChem CID50954926
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)C(C)c1nccs1
InChIInChI=1S/C16H21N3O2S/c1-12(16-17-8-9-22-16)19(2)11-15(20)18-10-13-6-4-5-7-14(13)21-3/h4-9,12H,10-11H2,1-3H3,(H,18,20)
InChIKeyBBEJJOBLONWDKB-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9929728
N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
(R)-2-amino-N-(3-methoxy-4-(thiazol-5-yl)phenyl)-4-methylpentanamide
CID 117799665
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
4-(Thiazol-2-yl)phenyl butylcarbamate
CID 16007307
2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 16190817
2-[1-(2-methoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24791416
2-[1-(2-ethoxybenzyl)-3-oxo-2-piperazinyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24817732
N'-tert-butyl-N-[3-methoxy-4-(1,3-thiazol-5-yl)phenyl]oxamide
CID 44291510
1-(2-(2-Ethoxyphenyl)-1-(thiazol-2-yl)ethyl)piperazine
CID 44414731
N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 46943638
N-[(3,4-difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 46948616

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide (CID 50954926) is N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide is COc1ccccc1CNC(=O)CN(C)C(C)c1nccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
The InChIKey is BBEJJOBLONWDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12(16-17-8-9-22-16)19(2)11-15(20)18-10-13-6-4-5-7-14(13)21-3/h4-9,12H,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 50954926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).