3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide

C13H13BrN2O2S — CID 55332621

IUPAC3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-16-6-8-19-13(16)15-12(17)5-7-18-11-4-2-3-10(14)9-11/h2-4,6,8-9H,5,7H2,1H3/b15-13-
InChIKeyUIQWGFOKDXAQSP-SQFISAMPSA-N
MW341.23 g/mol
LogP2.75
Rot. Bonds4

About 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide

3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (PubChem CID 55332621) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
PubChem CID55332621
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-16-6-8-19-13(16)15-12(17)5-7-18-11-4-2-3-10(14)9-11/h2-4,6,8-9H,5,7H2,1H3/b15-13-
InChIKeyUIQWGFOKDXAQSP-SQFISAMPSA-N
XLogP2.75
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (CID 55332621) is 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is Cn1ccs/c1=N\C(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The InChIKey is UIQWGFOKDXAQSP-SQFISAMPSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-16-6-8-19-13(16)15-12(17)5-7-18-11-4-2-3-10(14)9-11/h2-4,6,8-9H,5,7H2,1H3/b15-13-.
What are the key properties of 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide has a molecular weight of 341.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is sourced from PubChem (CID 55332621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).