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

C12H9FN4S — CID 141341040

IUPAC2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1ncnc1-c1nccs1
InChIInChI=1S/C12H9FN4S/c13-10-4-2-1-3-9(10)7-17-11(15-8-16-17)12-14-5-6-18-12/h1-6,8H,7H2
InChIKeyAOSVHIPCFJIYGI-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.59
Rot. Bonds3

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

2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 141341040) has the molecular formula C12H9FN4S and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID141341040
Molecular FormulaC12H9FN4S
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Name2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1ncnc1-c1nccs1
InChIInChI=1S/C12H9FN4S/c13-10-4-2-1-3-9(10)7-17-11(15-8-16-17)12-14-5-6-18-12/h1-6,8H,7H2
InChIKeyAOSVHIPCFJIYGI-UHFFFAOYSA-N
XLogP2.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole (CID 141341040) is 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole is Fc1ccccc1Cn1ncnc1-c1nccs1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is AOSVHIPCFJIYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4S/c13-10-4-2-1-3-9(10)7-17-11(15-8-16-17)12-14-5-6-18-12/h1-6,8H,7H2.
What are the key properties of 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole?
2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 260.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 141341040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).