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

C14H15BrN2O2S2 — CID 26659730

IUPACN-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCSc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2S2/c1-10-9-21-14(19)17(10)8-13(18)16-6-7-20-12-4-2-11(15)3-5-12/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyNEVZWDFCISYYPZ-UHFFFAOYSA-N
MW387.32 g/mol
LogP2.89
Rot. Bonds6

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

N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 26659730) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID26659730
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC NameN-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCSc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2S2/c1-10-9-21-14(19)17(10)8-13(18)16-6-7-20-12-4-2-11(15)3-5-12/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyNEVZWDFCISYYPZ-UHFFFAOYSA-N
XLogP2.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 26659730) is N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCCSc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is NEVZWDFCISYYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c1-10-9-21-14(19)17(10)8-13(18)16-6-7-20-12-4-2-11(15)3-5-12/h2-5,9H,6-8H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 387.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 26659730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).