ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate

C14H15BrN2O2S — CID 102766001

IUPACethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Br)c1)c1scnc1C
InChIInChI=1S/C14H15BrN2O2S/c1-3-19-14(18)12(13-9(2)16-8-20-13)17-11-6-4-5-10(15)7-11/h4-8,12,17H,3H2,1-2H3
InChIKeySVHAYFLWFTWPNZ-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.93
Rot. Bonds5

About ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate

ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate (PubChem CID 102766001) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
PubChem CID102766001
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Nameethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Br)c1)c1scnc1C
InChIInChI=1S/C14H15BrN2O2S/c1-3-19-14(18)12(13-9(2)16-8-20-13)17-11-6-4-5-10(15)7-11/h4-8,12,17H,3H2,1-2H3
InChIKeySVHAYFLWFTWPNZ-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

Analyze ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate 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

ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950
ethyl 2-(3-bromo-4-chloroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766129
ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765940
methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766012
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
ethyl 2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79570015
methyl 2-(2-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765990
ethyl (3R)-3-(3-bromoanilino)butanoate
CID 101375260
2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
CID 60992710
2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373006
ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
2-(3-bromoanilino)pentanamide
CID 61005208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate (CID 102766001) is ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate is CCOC(=O)C(Nc1cccc(Br)c1)c1scnc1C.
What is the InChIKey of ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The InChIKey is SVHAYFLWFTWPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-3-19-14(18)12(13-9(2)16-8-20-13)17-11-6-4-5-10(15)7-11/h4-8,12,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-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-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 102766001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).