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

C17H11BrFN5S — CID 16611662

IUPAC2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESFc1cccc(-c2nnn(Cc3csc(-c4cccc(Br)c4)n3)n2)c1
InChIInChI=1S/C17H11BrFN5S/c18-13-5-1-4-12(7-13)17-20-15(10-25-17)9-24-22-16(21-23-24)11-3-2-6-14(19)8-11/h1-8,10H,9H2
InChIKeyOSBMECJAFWTSER-UHFFFAOYSA-N
MW416.28 g/mol
LogP4.41
Rot. Bonds4

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

2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole (PubChem CID 16611662) has the molecular formula C17H11BrFN5S and a molecular weight of 416.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
PubChem CID16611662
Molecular FormulaC17H11BrFN5S
Molecular Weight416.28 g/mol
Exact Mass414.99
IUPAC Name2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESFc1cccc(-c2nnn(Cc3csc(-c4cccc(Br)c4)n3)n2)c1
InChIInChI=1S/C17H11BrFN5S/c18-13-5-1-4-12(7-13)17-20-15(10-25-17)9-24-22-16(21-23-24)11-3-2-6-14(19)8-11/h1-8,10H,9H2
InChIKeyOSBMECJAFWTSER-UHFFFAOYSA-N
XLogP4.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole (CID 16611662) is 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole is Fc1cccc(-c2nnn(Cc3csc(-c4cccc(Br)c4)n3)n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is OSBMECJAFWTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5S/c18-13-5-1-4-12(7-13)17-20-15(10-25-17)9-24-22-16(21-23-24)11-3-2-6-14(19)8-11/h1-8,10H,9H2.
What are the key properties of 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 416.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 16611662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).