2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

C16H19N3O3S — CID 119125763

IUPAC2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccccc2OCC(N)=O)s1
InChIInChI=1S/C16H19N3O3S/c1-10-14(23-11(2)19-10)7-8-18-16(21)12-5-3-4-6-13(12)22-9-15(17)20/h3-6H,7-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyLCEWIAGCXWGSHR-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.60
Rot. Bonds7

About 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide

2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 119125763) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID119125763
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccccc2OCC(N)=O)s1
InChIInChI=1S/C16H19N3O3S/c1-10-14(23-11(2)19-10)7-8-18-16(21)12-5-3-4-6-13(12)22-9-15(17)20/h3-6H,7-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyLCEWIAGCXWGSHR-UHFFFAOYSA-N
XLogP1.60
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
2-(2-amino-2-oxoethoxy)-N-butylbenzamide
CID 36711020
2-(2-amino-2-oxoethoxy)-N-(2-thiophen-2-ylethyl)benzamide
CID 134031335
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095
2-(2-amino-2-oxoethoxy)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119138842
2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395441
2-[2-[[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119125956

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 119125763) is 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(C)c(CCNC(=O)c2ccccc2OCC(N)=O)s1.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is LCEWIAGCXWGSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-14(23-11(2)19-10)7-8-18-16(21)12-5-3-4-6-13(12)22-9-15(17)20/h3-6H,7-9H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide?
2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 119125763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).