2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole

C17H12FN5S — CID 56598663

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1nccs1
InChIInChI=1S/C17H12FN5S/c18-13-5-2-1-4-12(13)11-23-15(17-21-8-9-24-17)10-14(22-23)16-19-6-3-7-20-16/h1-10H,11H2
InChIKeyKSMQXTATHZCWEK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.65
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole

2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole (PubChem CID 56598663) has the molecular formula C17H12FN5S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole
PubChem CID56598663
Molecular FormulaC17H12FN5S
Molecular Weight337.38 g/mol
Exact Mass337.08
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1nccs1
InChIInChI=1S/C17H12FN5S/c18-13-5-2-1-4-12(13)11-23-15(17-21-8-9-24-17)10-14(22-23)16-19-6-3-7-20-16/h1-10H,11H2
InChIKeyKSMQXTATHZCWEK-UHFFFAOYSA-N
XLogP3.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole (CID 56598663) is 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole is Fc1ccccc1Cn1nc(-c2ncccn2)cc1-c1nccs1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole?
The InChIKey is KSMQXTATHZCWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5S/c18-13-5-2-1-4-12(13)11-23-15(17-21-8-9-24-17)10-14(22-23)16-19-6-3-7-20-16/h1-10H,11H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole?
2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole has a molecular weight of 337.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 56598663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).