2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

C17H12BrN3O4S — CID 1193326

IUPAC2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1Br)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C17H12BrN3O4S/c18-13-3-1-2-4-15(13)25-9-16(22)20-17-19-14(10-26-17)11-5-7-12(8-6-11)21(23)24/h1-8,10H,9H2,(H,19,20,22)
InChIKeyYAUMWVOIWHJGMW-UHFFFAOYSA-N
MW434.27 g/mol
LogP4.50
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1193326) has the molecular formula C17H12BrN3O4S and a molecular weight of 434.27 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1193326
Molecular FormulaC17H12BrN3O4S
Molecular Weight434.27 g/mol
Exact Mass432.97
IUPAC Name2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1Br)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C17H12BrN3O4S/c18-13-3-1-2-4-15(13)25-9-16(22)20-17-19-14(10-26-17)11-5-7-12(8-6-11)21(23)24/h1-8,10H,9H2,(H,19,20,22)
InChIKeyYAUMWVOIWHJGMW-UHFFFAOYSA-N
XLogP4.50
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yloxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1186312
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 4848684
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
CID 45035781
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 18227067
2-(2-methyl-3-nitrophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 60518149
2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19176250
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406701
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
4-(2-bromo-4-ethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 19202330

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 1193326) is 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccccc1Br)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YAUMWVOIWHJGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O4S/c18-13-3-1-2-4-15(13)25-9-16(22)20-17-19-14(10-26-17)11-5-7-12(8-6-11)21(23)24/h1-8,10H,9H2,(H,19,20,22).
What are the key properties of 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1193326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).