N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide

C14H17N3O3S — CID 51073257

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C14H17N3O3S/c1-17(2)12(18)9-20-11-6-4-3-5-10(11)13(19)16-14-15-7-8-21-14/h3-6H,7-9H2,1-2H3,(H,15,16,19)
InChIKeyUIAJMSSNOKCFAE-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.99
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide (PubChem CID 51073257) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
PubChem CID51073257
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C14H17N3O3S/c1-17(2)12(18)9-20-11-6-4-3-5-10(11)13(19)16-14-15-7-8-21-14/h3-6H,7-9H2,1-2H3,(H,15,16,19)
InChIKeyUIAJMSSNOKCFAE-UHFFFAOYSA-N
XLogP0.99
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 3881497
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 4031678
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 163590328
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 30789533
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 27669306
2-[2-(dimethylamino)-2-oxoethoxy]-N-pentylbenzamide
CID 32976806
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
2-[2-(dimethylamino)-2-oxoethoxy]-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447084
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327287
2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide
CID 46643290

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide (CID 51073257) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide is CN(C)C(=O)COc1ccccc1C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The InChIKey is UIAJMSSNOKCFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17(2)12(18)9-20-11-6-4-3-5-10(11)13(19)16-14-15-7-8-21-14/h3-6H,7-9H2,1-2H3,(H,15,16,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide has a molecular weight of 307.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 51073257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).