N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

C16H21N3O2S — CID 110316414

IUPACN-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCN(C)CCNC(=O)Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C16H21N3O2S/c1-19(2)9-8-17-15(20)10-13-12-22-16(18-13)11-21-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeyVMIFIIUIPGKXCM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.94
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110316414) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110316414
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCN(C)CCNC(=O)Cc1csc(COc2ccccc2)n1
InChIInChI=1S/C16H21N3O2S/c1-19(2)9-8-17-15(20)10-13-12-22-16(18-13)11-21-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeyVMIFIIUIPGKXCM-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110620081
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110619843
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110314008
5-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]pentanoic acid
CID 119234934
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[ethylsulfonyl(methyl)amino]propyl]acetamide
CID 55961282
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 110341832
3-ethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-1-propylurea
CID 24714684
2-[(3-chlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 24712426

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110316414) is N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is CN(C)CCNC(=O)Cc1csc(COc2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is VMIFIIUIPGKXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-19(2)9-8-17-15(20)10-13-12-22-16(18-13)11-21-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110316414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).