(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

C14H15BrN2O2S — CID 40771211

IUPAC(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C14H15BrN2O2S/c1-8-6-11(15)7-9(2)12(8)19-10(3)13(18)17-14-16-4-5-20-14/h4-7,10H,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyJXIZLAMACYUKEP-JTQLQIEISA-N
MW355.26 g/mol
LogP3.93
Rot. Bonds4

About (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 40771211) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID40771211
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C14H15BrN2O2S/c1-8-6-11(15)7-9(2)12(8)19-10(3)13(18)17-14-16-4-5-20-14/h4-7,10H,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyJXIZLAMACYUKEP-JTQLQIEISA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787321
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4981351
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 171987768
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 40771211) is (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is JXIZLAMACYUKEP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-8-6-11(15)7-9(2)12(8)19-10(3)13(18)17-14-16-4-5-20-14/h4-7,10H,1-3H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 355.26 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 40771211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).