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

C13H10FN3S — CID 46958410

IUPAC5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3S/c1-8-13(18-7-15-8)12-11(6-16-17-12)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17)
InChIKeyIPQNSJVRJOYKSE-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.65
Rot. Bonds2

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

5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole (PubChem CID 46958410) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole
PubChem CID46958410
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3S/c1-8-13(18-7-15-8)12-11(6-16-17-12)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17)
InChIKeyIPQNSJVRJOYKSE-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole (CID 46958410) is 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole is Cc1ncsc1-c1[nH]ncc1-c1ccc(F)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole?
The InChIKey is IPQNSJVRJOYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c1-8-13(18-7-15-8)12-11(6-16-17-12)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17).
What are the key properties of 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole?
5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole has a molecular weight of 259.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 46958410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).