2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole

C18H15Br2NOS — CID 86302272

IUPAC2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(Br)cc2)sc1COCc1ccc(Br)cc1
InChIInChI=1S/C18H15Br2NOS/c1-12-17(11-22-10-13-2-6-15(19)7-3-13)23-18(21-12)14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3
InChIKeyYFUCYYQLBUGZOA-UHFFFAOYSA-N
MW453.20 g/mol
LogP6.36
Rot. Bonds5

About 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole

2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole (PubChem CID 86302272) has the molecular formula C18H15Br2NOS and a molecular weight of 453.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole
PubChem CID86302272
Molecular FormulaC18H15Br2NOS
Molecular Weight453.20 g/mol
Exact Mass450.92
IUPAC Name2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(Br)cc2)sc1COCc1ccc(Br)cc1
InChIInChI=1S/C18H15Br2NOS/c1-12-17(11-22-10-13-2-6-15(19)7-3-13)23-18(21-12)14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3
InChIKeyYFUCYYQLBUGZOA-UHFFFAOYSA-N
XLogP6.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.20
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole (CID 86302272) is 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole is Cc1nc(-c2ccc(Br)cc2)sc1COCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
The InChIKey is YFUCYYQLBUGZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2NOS/c1-12-17(11-22-10-13-2-6-15(19)7-3-13)23-18(21-12)14-4-8-16(20)9-5-14/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole?
2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole has a molecular weight of 453.20 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 86302272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).