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

C12H10BrN5S — CID 71855841

IUPAC2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cn2nnc(-c3ccccc3Br)n2)n1
InChIInChI=1S/C12H10BrN5S/c1-8-7-19-11(14-8)6-18-16-12(15-17-18)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3
InChIKeyCEUDLMXTNUXJPK-UHFFFAOYSA-N
MW336.22 g/mol
LogP2.92
Rot. Bonds3

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

2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 71855841) has the molecular formula C12H10BrN5S and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID71855841
Molecular FormulaC12H10BrN5S
Molecular Weight336.22 g/mol
Exact Mass334.98
IUPAC Name2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cn2nnc(-c3ccccc3Br)n2)n1
InChIInChI=1S/C12H10BrN5S/c1-8-7-19-11(14-8)6-18-16-12(15-17-18)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3
InChIKeyCEUDLMXTNUXJPK-UHFFFAOYSA-N
XLogP2.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-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-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole (CID 71855841) is 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole is Cc1csc(Cn2nnc(-c3ccccc3Br)n2)n1.
What is the InChIKey of 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is CEUDLMXTNUXJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5S/c1-8-7-19-11(14-8)6-18-16-12(15-17-18)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3.
What are the key properties of 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole?
2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 336.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 71855841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).