(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide

C13H13BrN2O2S — CID 8894315

IUPAC(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)/N=c1\sccn1C
InChIInChI=1S/C13H13BrN2O2S/c1-9(18-11-5-3-10(14)4-6-11)12(17)15-13-16(2)7-8-19-13/h3-9H,1-2H3/b15-13-/t9-/m0/s1
InChIKeyGLRAAMRLCKJPGV-BFBVWJMCSA-N
MW341.23 g/mol
LogP2.74
Rot. Bonds3

About (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide

(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (PubChem CID 8894315) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
PubChem CID8894315
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)/N=c1\sccn1C
InChIInChI=1S/C13H13BrN2O2S/c1-9(18-11-5-3-10(14)4-6-11)12(17)15-13-16(2)7-8-19-13/h3-9H,1-2H3/b15-13-/t9-/m0/s1
InChIKeyGLRAAMRLCKJPGV-BFBVWJMCSA-N
XLogP2.74
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 46539890
6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
CID 52649954
ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
CID 131232981
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 55332621
3-[4-(4-bromophenyl)phenoxy]butan-2-one
CID 62033260
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
3-[2-(4-bromophenoxy)propanoylamino]thiophene-2-carboxylic acid
CID 43357972
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7346463
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (CID 8894315) is (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is C[C@H](Oc1ccc(Br)cc1)C(=O)/N=c1\sccn1C.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The InChIKey is GLRAAMRLCKJPGV-BFBVWJMCSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9(18-11-5-3-10(14)4-6-11)12(17)15-13-16(2)7-8-19-13/h3-9H,1-2H3/b15-13-/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
(2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide has a molecular weight of 341.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is sourced from PubChem (CID 8894315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).