N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C16H16BrN3O2S — CID 16868298

IUPACN-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O2S/c1-2-11-7-15(22)20-13(9-23-16(20)19-11)8-14(21)18-12-5-3-10(17)4-6-12/h3-7,13H,2,8-9H2,1H3,(H,18,21)
InChIKeyLLCFGGKAUOFIGM-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.24
Rot. Bonds4

About N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868298) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868298
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC NameN-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O2S/c1-2-11-7-15(22)20-13(9-23-16(20)19-11)8-14(21)18-12-5-3-10(17)4-6-12/h3-7,13H,2,8-9H2,1H3,(H,18,21)
InChIKeyLLCFGGKAUOFIGM-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868298) is N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is LLCFGGKAUOFIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c1-2-11-7-15(22)20-13(9-23-16(20)19-11)8-14(21)18-12-5-3-10(17)4-6-12/h3-7,13H,2,8-9H2,1H3,(H,18,21).
What are the key properties of N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 394.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).