2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide

C13H15BrN2O2S — CID 30309483

IUPAC2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H15BrN2O2S/c1-13(2,11(17)16-12-15-7-8-19-12)18-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFESCHXJVWXUZBU-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide

2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 30309483) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID30309483
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H15BrN2O2S/c1-13(2,11(17)16-12-15-7-8-19-12)18-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFESCHXJVWXUZBU-UHFFFAOYSA-N
XLogP2.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide (CID 30309483) is 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide is CC(C)(Oc1ccc(Br)cc1)C(=O)NC1=NCCS1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is FESCHXJVWXUZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-13(2,11(17)16-12-15-7-8-19-12)18-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide?
2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 343.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 30309483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).