N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide

C18H21BrN4O2S — CID 86896428

IUPACN-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)Cc1csc(N2CCCNC2=O)n1
InChIInChI=1S/C18H21BrN4O2S/c1-22(10-7-13-3-5-14(19)6-4-13)16(24)11-15-12-26-18(21-15)23-9-2-8-20-17(23)25/h3-6,12H,2,7-11H2,1H3,(H,20,25)
InChIKeyTWHOMOWFLGKWLA-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide

N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86896428) has the molecular formula C18H21BrN4O2S and a molecular weight of 437.36 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID86896428
Molecular FormulaC18H21BrN4O2S
Molecular Weight437.36 g/mol
Exact Mass436.06
IUPAC NameN-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)Cc1csc(N2CCCNC2=O)n1
InChIInChI=1S/C18H21BrN4O2S/c1-22(10-7-13-3-5-14(19)6-4-13)16(24)11-15-12-26-18(21-15)23-9-2-8-20-17(23)25/h3-6,12H,2,7-11H2,1H3,(H,20,25)
InChIKeyTWHOMOWFLGKWLA-UHFFFAOYSA-N
XLogP3.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-nitrophenyl)methyl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 86881423
1-[4-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 86881443
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55742587
N-[1-(2-bromophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 55881711
N-[(2-bromophenyl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 31215669
1-[4-[2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 125146659
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
CID 86883851
N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 110386212
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27800997
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
CID 86934117
N-(3-methylbutan-2-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42961693
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62799436

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (CID 86896428) is N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is CN(CCc1ccc(Br)cc1)C(=O)Cc1csc(N2CCCNC2=O)n1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is TWHOMOWFLGKWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2S/c1-22(10-7-13-3-5-14(19)6-4-13)16(24)11-15-12-26-18(21-15)23-9-2-8-20-17(23)25/h3-6,12H,2,7-11H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 437.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-N-methyl-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86896428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).