ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

C14H15BrN2O2S — CID 104770653

IUPACethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Br)cc1)c1nc(C)cs1
InChIInChI=1S/C14H15BrN2O2S/c1-3-19-14(18)12(13-16-9(2)8-20-13)17-11-6-4-10(15)5-7-11/h4-8,12,17H,3H2,1-2H3
InChIKeyVBDRBXVUOMUGHY-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.93
Rot. Bonds5

About ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 104770653) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
PubChem CID104770653
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Nameethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Br)cc1)c1nc(C)cs1
InChIInChI=1S/C14H15BrN2O2S/c1-3-19-14(18)12(13-16-9(2)8-20-13)17-11-6-4-10(15)5-7-11/h4-8,12,17H,3H2,1-2H3
InChIKeyVBDRBXVUOMUGHY-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 ≤ 105

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Related Compounds

ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
CID 60993848
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
CID 104579188
ethyl 2-(4-bromoanilino)-3-methylpentanoate
CID 61319158
ethyl (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-phenylpropanoate
CID 8024886
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (CID 104770653) is ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is CCOC(=O)C(Nc1ccc(Br)cc1)c1nc(C)cs1.
What is the InChIKey of ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is VBDRBXVUOMUGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-3-19-14(18)12(13-16-9(2)8-20-13)17-11-6-4-10(15)5-7-11/h4-8,12,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate has a molecular weight of 355.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 104770653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).