2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole

C14H11FN4S — CID 46219024

IUPAC2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole
SMILESFCc1nc(C#CCCc2ccn3nccc3n2)cs1
InChIInChI=1S/C14H11FN4S/c15-9-14-18-12(10-20-14)4-2-1-3-11-6-8-19-13(17-11)5-7-16-19/h5-8,10H,1,3,9H2
InChIKeySYFPJAAHYDJKJR-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.64
Rot. Bonds3

About 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole

2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole (PubChem CID 46219024) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole
PubChem CID46219024
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC Name2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole
SMILESFCc1nc(C#CCCc2ccn3nccc3n2)cs1
InChIInChI=1S/C14H11FN4S/c15-9-14-18-12(10-20-14)4-2-1-3-11-6-8-19-13(17-11)5-7-16-19/h5-8,10H,1,3,9H2
InChIKeySYFPJAAHYDJKJR-UHFFFAOYSA-N
XLogP2.64
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(fluoromethyl)-4-[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)but-1-ynyl]-1,3-thiazole
CID 68607179
5-[4-(1-methylpyrazol-3-yl)but-3-ynyl]pyrazolo[1,5-a]pyrimidine
CID 46219025
2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole
CID 91461732
2-methyl-4-(3-pyrazolo[1,5-a]pyrimidin-5-yloxyprop-1-ynyl)-1,3-thiazole
CID 46219660
2-methyl-5-(4-thiophen-2-ylbut-3-ynyl)pyrazolo[1,5-a]pyrimidine
CID 68606996
5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
CID 68606763
2-[4-[4-[6-(fluoromethyl)-2-pyridinyl]but-3-ynyl]phenyl]imidazo[1,2-a]pyridine
CID 142781489
3-bromo-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile
CID 115373176
2-methyl-5-[4-(2-methylphenyl)but-3-ynyl]pyrazolo[1,5-a]pyrimidine
CID 68608967
pyrazolo[1,5-a]pyrimidin-5-olate
CID 51386982
5-ethenylpyrazolo[1,5-a]pyrimidine
CID 70224896
N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372644

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole?
The IUPAC name of 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole (CID 46219024) is 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole.
What is the SMILES notation for 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole?
The canonical SMILES for 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole is FCc1nc(C#CCCc2ccn3nccc3n2)cs1.
What is the InChIKey of 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole?
The InChIKey is SYFPJAAHYDJKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c15-9-14-18-12(10-20-14)4-2-1-3-11-6-8-19-13(17-11)5-7-16-19/h5-8,10H,1,3,9H2.
What are the key properties of 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole?
2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole has a molecular weight of 286.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole is sourced from PubChem (CID 46219024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).