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

C18H14BrNO3S — CID 9135775

IUPAC(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)OCc3ccccc3Br)cs2)cc1
InChIInChI=1S/C18H14BrNO3S/c1-22-14-8-6-12(7-9-14)17-20-16(11-24-17)18(21)23-10-13-4-2-3-5-15(13)19/h2-9,11H,10H2,1H3
InChIKeyVUTDOFLEAVEQOP-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.94
Rot. Bonds5

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

(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 9135775) has the molecular formula C18H14BrNO3S and a molecular weight of 404.29 g/mol. Its IUPAC name is (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID9135775
Molecular FormulaC18H14BrNO3S
Molecular Weight404.29 g/mol
Exact Mass402.99
IUPAC Name(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)OCc3ccccc3Br)cs2)cc1
InChIInChI=1S/C18H14BrNO3S/c1-22-14-8-6-12(7-9-14)17-20-16(11-24-17)18(21)23-10-13-4-2-3-5-15(13)19/h2-9,11H,10H2,1H3
InChIKeyVUTDOFLEAVEQOP-UHFFFAOYSA-N
XLogP4.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-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

(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46611627
(2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542842
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135231
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55570949
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135151
(5-bromothiophen-3-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55704837
3-cyanopropyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 43056496
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813125
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135158

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 9135775) is (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is COc1ccc(-c2nc(C(=O)OCc3ccccc3Br)cs2)cc1.
What is the InChIKey of (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is VUTDOFLEAVEQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3S/c1-22-14-8-6-12(7-9-14)17-20-16(11-24-17)18(21)23-10-13-4-2-3-5-15(13)19/h2-9,11H,10H2,1H3.
What are the key properties of (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 404.29 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 9135775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).