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

C18H13FN4S — CID 58416219

IUPAC5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-n1ccc(-c2ccccc2F)n1
InChIInChI=1S/C18H13FN4S/c1-12-18(24-17(21-12)13-5-4-9-20-11-13)23-10-8-16(22-23)14-6-2-3-7-15(14)19/h2-11H,1H3
InChIKeyKUZJSRFOYURHSI-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.51
Rot. Bonds3

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

5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416219) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416219
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC Name5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-n1ccc(-c2ccccc2F)n1
InChIInChI=1S/C18H13FN4S/c1-12-18(24-17(21-12)13-5-4-9-20-11-13)23-10-8-16(22-23)14-6-2-3-7-15(14)19/h2-11H,1H3
InChIKeyKUZJSRFOYURHSI-UHFFFAOYSA-N
XLogP4.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416219) is 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-n1ccc(-c2ccccc2F)n1.
What is the InChIKey of 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KUZJSRFOYURHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c1-12-18(24-17(21-12)13-5-4-9-20-11-13)23-10-8-16(22-23)14-6-2-3-7-15(14)19/h2-11H,1H3.
What are the key properties of 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 336.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).