4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole

C17H16FN3O2S — CID 154771684

IUPAC4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccc(OCC2CCOC2)c(-c2cnn(-c3cscn3)c2)c1
InChIInChI=1S/C17H16FN3O2S/c18-14-1-2-16(23-9-12-3-4-22-8-12)15(5-14)13-6-20-21(7-13)17-10-24-11-19-17/h1-2,5-7,10-12H,3-4,8-9H2
InChIKeyCZJTYLQOMMBZHE-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.55
Rot. Bonds5

About 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole

4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole (PubChem CID 154771684) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
PubChem CID154771684
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccc(OCC2CCOC2)c(-c2cnn(-c3cscn3)c2)c1
InChIInChI=1S/C17H16FN3O2S/c18-14-1-2-16(23-9-12-3-4-22-8-12)15(5-14)13-6-20-21(7-13)17-10-24-11-19-17/h1-2,5-7,10-12H,3-4,8-9H2
InChIKeyCZJTYLQOMMBZHE-UHFFFAOYSA-N
XLogP3.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole (CID 154771684) is 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole is Fc1ccc(OCC2CCOC2)c(-c2cnn(-c3cscn3)c2)c1.
What is the InChIKey of 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
The InChIKey is CZJTYLQOMMBZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c18-14-1-2-16(23-9-12-3-4-22-8-12)15(5-14)13-6-20-21(7-13)17-10-24-11-19-17/h1-2,5-7,10-12H,3-4,8-9H2.
What are the key properties of 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole has a molecular weight of 345.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 154771684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).