2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole

C14H12FN3S — CID 804436

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C14H12FN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyQXVKAVDRZZFQTE-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.75
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole

2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 804436) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID804436
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C14H12FN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyQXVKAVDRZZFQTE-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole (CID 804436) is 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole is Cc1cc(C)n(-c2nc(-c3ccc(F)cc3)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is QXVKAVDRZZFQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 273.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 804436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).