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

C17H11F2N5S — CID 16610877

IUPAC2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESFc1ccc(-c2nnn(Cc3csc(-c4ccc(F)cc4)n3)n2)cc1
InChIInChI=1S/C17H11F2N5S/c18-13-5-1-11(2-6-13)16-21-23-24(22-16)9-15-10-25-17(20-15)12-3-7-14(19)8-4-12/h1-8,10H,9H2
InChIKeyXUGKXRXGIZTSLK-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.79
Rot. Bonds4

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

2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole (PubChem CID 16610877) has the molecular formula C17H11F2N5S and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
PubChem CID16610877
Molecular FormulaC17H11F2N5S
Molecular Weight355.37 g/mol
Exact Mass355.07
IUPAC Name2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
SMILESFc1ccc(-c2nnn(Cc3csc(-c4ccc(F)cc4)n3)n2)cc1
InChIInChI=1S/C17H11F2N5S/c18-13-5-1-11(2-6-13)16-21-23-24(22-16)9-15-10-25-17(20-15)12-3-7-14(19)8-4-12/h1-8,10H,9H2
InChIKeyXUGKXRXGIZTSLK-UHFFFAOYSA-N
XLogP3.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole (CID 16610877) is 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole is Fc1ccc(-c2nnn(Cc3csc(-c4ccc(F)cc4)n3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is XUGKXRXGIZTSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5S/c18-13-5-1-11(2-6-13)16-21-23-24(22-16)9-15-10-25-17(20-15)12-3-7-14(19)8-4-12/h1-8,10H,9H2.
What are the key properties of 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole?
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 355.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 16610877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).