ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate

C10H14BrNO2S — CID 129388879

IUPACethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)[C@@](C)(Br)c1nc(CC)cs1
InChIInChI=1S/C10H14BrNO2S/c1-4-7-6-15-8(12-7)10(3,11)9(13)14-5-2/h6H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyCGYDULVGCWMZBR-JTQLQIEISA-N
MW292.20 g/mol
LogP2.88
Rot. Bonds4

About ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate

ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate (PubChem CID 129388879) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate
PubChem CID129388879
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Nameethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)[C@@](C)(Br)c1nc(CC)cs1
InChIInChI=1S/C10H14BrNO2S/c1-4-7-6-15-8(12-7)10(3,11)9(13)14-5-2/h6H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyCGYDULVGCWMZBR-JTQLQIEISA-N
XLogP2.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
CID 129388918
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
4-ethyl-2-(trifluoromethyl)-1,3-thiazole
CID 23533400
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
4-(4-ethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanoic acid
CID 116968711
ethyl 3,3-dicyano-2-[4-(3-methoxy-2,2-dimethylbut-3-enyl)-1,3-thiazol-2-yl]-2-methylpropanoate
CID 145341507
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate (CID 129388879) is ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate is CCOC(=O)[C@@](C)(Br)c1nc(CC)cs1.
What is the InChIKey of ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate?
The InChIKey is CGYDULVGCWMZBR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-4-7-6-15-8(12-7)10(3,11)9(13)14-5-2/h6H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate?
ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate has a molecular weight of 292.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 129388879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).