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

C13H8FN7S — CID 122189482

IUPAC4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)cc1
InChIInChI=1S/C13H8FN7S/c14-10-3-1-8(2-4-10)11-7-22-13(16-11)21-6-9(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyLKMCFTQDIARYFG-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.32
Rot. Bonds3

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

4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122189482) has the molecular formula C13H8FN7S and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122189482
Molecular FormulaC13H8FN7S
Molecular Weight313.32 g/mol
Exact Mass313.05
IUPAC Name4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)cc1
InChIInChI=1S/C13H8FN7S/c14-10-3-1-8(2-4-10)11-7-22-13(16-11)21-6-9(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyLKMCFTQDIARYFG-UHFFFAOYSA-N
XLogP2.32
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 122189482) is 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is Fc1ccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is LKMCFTQDIARYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN7S/c14-10-3-1-8(2-4-10)11-7-22-13(16-11)21-6-9(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20).
What are the key properties of 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 313.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122189482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).