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

C14H12FN3S — CID 143320499

IUPAC2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C)n1
InChIInChI=1S/C14H12FN3S/c1-8-7-19-14(16-8)12-9(2)17-18-13(12)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,17,18)
InChIKeyFDHHAJJHFRGEKN-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.96
Rot. Bonds2

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

2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole (PubChem CID 143320499) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole
PubChem CID143320499
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C)n1
InChIInChI=1S/C14H12FN3S/c1-8-7-19-14(16-8)12-9(2)17-18-13(12)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,17,18)
InChIKeyFDHHAJJHFRGEKN-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole (CID 143320499) is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C)n1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole?
The InChIKey is FDHHAJJHFRGEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-8-7-19-14(16-8)12-9(2)17-18-13(12)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole?
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole has a molecular weight of 273.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 143320499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).