ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate

C14H15BrN2O2S — CID 107580572

IUPACethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(C)cc(Br)c2)n1
InChIInChI=1S/C14H15BrN2O2S/c1-3-19-13(18)7-12-8-20-14(17-12)16-11-5-9(2)4-10(15)6-11/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyHSVYFNGTNBYYPU-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.06
Rot. Bonds5

About ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 107580572) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID107580572
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Nameethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(C)cc(Br)c2)n1
InChIInChI=1S/C14H15BrN2O2S/c1-3-19-13(18)7-12-8-20-14(17-12)16-11-5-9(2)4-10(15)6-11/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyHSVYFNGTNBYYPU-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-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-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 82859828
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80573862
ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
ethyl 2-[2-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]acetate
CID 107806769
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
CID 80574423
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate (CID 107580572) is ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2cc(C)cc(Br)c2)n1.
What is the InChIKey of ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is HSVYFNGTNBYYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-3-19-13(18)7-12-8-20-14(17-12)16-11-5-9(2)4-10(15)6-11/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 355.26 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107580572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).