N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide

C14H13BrN2O3S — CID 993137

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Br)cc2)nc1C
InChIInChI=1S/C14H13BrN2O3S/c1-8-13(9(2)18)21-14(16-8)17-12(19)7-20-11-5-3-10(15)4-6-11/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyQPCGUMOEDKAECE-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.43
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide (PubChem CID 993137) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide
PubChem CID993137
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc(Br)cc2)nc1C
InChIInChI=1S/C14H13BrN2O3S/c1-8-13(9(2)18)21-14(16-8)17-12(19)7-20-11-5-3-10(15)4-6-11/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyQPCGUMOEDKAECE-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide (CID 993137) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2ccc(Br)cc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide?
The InChIKey is QPCGUMOEDKAECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-8-13(9(2)18)21-14(16-8)17-12(19)7-20-11-5-3-10(15)4-6-11/h3-6H,7H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide has a molecular weight of 369.24 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 993137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).