ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate

C19H16BrNO3S — CID 131954915

IUPACethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3S/c1-3-24-19(22)17-16(12-4-8-14(20)9-5-12)21-18(25-17)13-6-10-15(23-2)11-7-13/h4-11H,3H2,1-2H3
InChIKeyZOYVQCGQAGUBGV-UHFFFAOYSA-N
MW418.31 g/mol
LogP5.42
Rot. Bonds5

About ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate

ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 131954915) has the molecular formula C19H16BrNO3S and a molecular weight of 418.31 g/mol. Its IUPAC name is ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
PubChem CID131954915
Molecular FormulaC19H16BrNO3S
Molecular Weight418.31 g/mol
Exact Mass417.00
IUPAC Nameethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(OC)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3S/c1-3-24-19(22)17-16(12-4-8-14(20)9-5-12)21-18(25-17)13-6-10-15(23-2)11-7-13/h4-11H,3H2,1-2H3
InChIKeyZOYVQCGQAGUBGV-UHFFFAOYSA-N
XLogP5.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate 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

diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
ethyl 2-(1-oxidopyridin-1-ium-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 66854770
ethyl 2-methoxy-4-(4-propylphenyl)-1,3-thiazole-5-carboxylate
CID 131867605
ethyl N-[2-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 91900912
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727560
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 4-(bromomethyl)-2-(4-phenylphenyl)-1,3-thiazole-5-carboxylate
CID 143535277
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate (CID 131954915) is ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(OC)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is ZOYVQCGQAGUBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3S/c1-3-24-19(22)17-16(12-4-8-14(20)9-5-12)21-18(25-17)13-6-10-15(23-2)11-7-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 418.31 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 131954915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).