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

C13H8FN7S — CID 122189484

IUPAC4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1
InChIInChI=1S/C13H8FN7S/c14-10-4-2-1-3-9(10)11-7-22-13(16-11)21-6-8(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyHMSXYYYTWGQSCT-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.32
Rot. Bonds3

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

4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122189484) has the molecular formula C13H8FN7S and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122189484
Molecular FormulaC13H8FN7S
Molecular Weight313.32 g/mol
Exact Mass313.05
IUPAC Name4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1
InChIInChI=1S/C13H8FN7S/c14-10-4-2-1-3-9(10)11-7-22-13(16-11)21-6-8(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyHMSXYYYTWGQSCT-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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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474408
4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189482
US10829492, Example 28
CID 134480295
N-(2-ethylpyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 155561296
3-Phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole
CID 2796014
4-(4-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189478
4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189479
4-(4-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189480
4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189481
4-(3-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189483

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 122189484) is 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is Fc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1.
What is the InChIKey of 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is HMSXYYYTWGQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN7S/c14-10-4-2-1-3-9(10)11-7-22-13(16-11)21-6-8(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20).
What are the key properties of 4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
4-(2-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-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122189484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).