2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide

C11H7BrN2O3S — CID 89049303

IUPAC2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide
SMILESO=NC(=O)c1csc(COc2ccccc2Br)n1
InChIInChI=1S/C11H7BrN2O3S/c12-7-3-1-2-4-9(7)17-5-10-13-8(6-18-10)11(15)14-16/h1-4,6H,5H2
InChIKeyGNTRZGQNTIEQGU-UHFFFAOYSA-N
MW327.16 g/mol
LogP3.39
Rot. Bonds4

About 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide

2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide (PubChem CID 89049303) has the molecular formula C11H7BrN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide
PubChem CID89049303
Molecular FormulaC11H7BrN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.94
IUPAC Name2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide
SMILESO=NC(=O)c1csc(COc2ccccc2Br)n1
InChIInChI=1S/C11H7BrN2O3S/c12-7-3-1-2-4-9(7)17-5-10-13-8(6-18-10)11(15)14-16/h1-4,6H,5H2
InChIKeyGNTRZGQNTIEQGU-UHFFFAOYSA-N
XLogP3.39
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide (CID 89049303) is 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide is O=NC(=O)c1csc(COc2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide?
The InChIKey is GNTRZGQNTIEQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3S/c12-7-3-1-2-4-9(7)17-5-10-13-8(6-18-10)11(15)14-16/h1-4,6H,5H2.
What are the key properties of 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide?
2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide has a molecular weight of 327.16 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]-N-oxo-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89049303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).