2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole

C18H14FN5S — CID 68643406

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)n1
InChIInChI=1S/C18H14FN5S/c1-12-11-25-18(22-12)16-9-15(17-20-7-4-8-21-17)23-24(16)10-13-5-2-3-6-14(13)19/h2-9,11H,10H2,1H3
InChIKeyOKJGPXBOCMZHHK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.96
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole (PubChem CID 68643406) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole
PubChem CID68643406
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)n1
InChIInChI=1S/C18H14FN5S/c1-12-11-25-18(22-12)16-9-15(17-20-7-4-8-21-17)23-24(16)10-13-5-2-3-6-14(13)19/h2-9,11H,10H2,1H3
InChIKeyOKJGPXBOCMZHHK-UHFFFAOYSA-N
XLogP3.96
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.96
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]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole (CID 68643406) is 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole?
The InChIKey is OKJGPXBOCMZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-12-11-25-18(22-12)16-9-15(17-20-7-4-8-21-17)23-24(16)10-13-5-2-3-6-14(13)19/h2-9,11H,10H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole?
2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole has a molecular weight of 351.41 g/mol, XLogP of 3.96, 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]-4-methyl-1,3-thiazole is sourced from PubChem (CID 68643406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).