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

C17H18BrN3O2S — CID 16868488

IUPACN-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2S/c1-2-3-13-8-16(23)21-14(10-24-17(21)20-13)9-15(22)19-12-6-4-11(18)5-7-12/h4-8,14H,2-3,9-10H2,1H3,(H,19,22)
InChIKeyONLVNTBMLTXVCG-UHFFFAOYSA-N
MW408.32 g/mol
LogP3.63
Rot. Bonds5

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

N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868488) has the molecular formula C17H18BrN3O2S and a molecular weight of 408.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868488
Molecular FormulaC17H18BrN3O2S
Molecular Weight408.32 g/mol
Exact Mass407.03
IUPAC NameN-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2S/c1-2-3-13-8-16(23)21-14(10-24-17(21)20-13)9-15(22)19-12-6-4-11(18)5-7-12/h4-8,14H,2-3,9-10H2,1H3,(H,19,22)
InChIKeyONLVNTBMLTXVCG-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 53.63
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-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868488) is N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is ONLVNTBMLTXVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2S/c1-2-3-13-8-16(23)21-14(10-24-17(21)20-13)9-15(22)19-12-6-4-11(18)5-7-12/h4-8,14H,2-3,9-10H2,1H3,(H,19,22).
What are the key properties of N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 408.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).