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

C17H13Br2NS — CID 79832407

IUPAC4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
SMILESCc1sc(Cc2cccc(Br)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C17H13Br2NS/c1-11-17(13-5-7-14(18)8-6-13)20-16(21-11)10-12-3-2-4-15(19)9-12/h2-9H,10H2,1H3
InChIKeyHYIJJPSRIUTWMP-UHFFFAOYSA-N
MW423.17 g/mol
LogP6.23
Rot. Bonds3

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

4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole (PubChem CID 79832407) has the molecular formula C17H13Br2NS and a molecular weight of 423.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
PubChem CID79832407
Molecular FormulaC17H13Br2NS
Molecular Weight423.17 g/mol
Exact Mass420.91
IUPAC Name4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
SMILESCc1sc(Cc2cccc(Br)c2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C17H13Br2NS/c1-11-17(13-5-7-14(18)8-6-13)20-16(21-11)10-12-3-2-4-15(19)9-12/h2-9H,10H2,1H3
InChIKeyHYIJJPSRIUTWMP-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.17
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-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 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole (CID 79832407) is 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole is Cc1sc(Cc2cccc(Br)c2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole?
The InChIKey is HYIJJPSRIUTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2NS/c1-11-17(13-5-7-14(18)8-6-13)20-16(21-11)10-12-3-2-4-15(19)9-12/h2-9H,10H2,1H3.
What are the key properties of 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole?
4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole has a molecular weight of 423.17 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 79832407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).