N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C13H15BrN2OS2 — CID 17411384

IUPACN-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSC1=NCCS1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2OS2/c1-9(10-2-4-11(14)5-3-10)16-12(17)8-19-13-15-6-7-18-13/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyKOYINAJMGQCFQD-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.46
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 17411384) has the molecular formula C13H15BrN2OS2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID17411384
Molecular FormulaC13H15BrN2OS2
Molecular Weight359.31 g/mol
Exact Mass357.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSC1=NCCS1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2OS2/c1-9(10-2-4-11(14)5-3-10)16-12(17)8-19-13-15-6-7-18-13/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyKOYINAJMGQCFQD-UHFFFAOYSA-N
XLogP3.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 17411384) is N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is CC(NC(=O)CSC1=NCCS1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is KOYINAJMGQCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS2/c1-9(10-2-4-11(14)5-3-10)16-12(17)8-19-13-15-6-7-18-13/h2-5,9H,6-8H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 359.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 17411384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).