2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole

C25H18FN3S — CID 71732962

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H18FN3S/c1-17-7-9-18(10-8-17)23-16-30-25(27-23)22-15-29(21-5-3-2-4-6-21)28-24(22)19-11-13-20(26)14-12-19/h2-16H,1H3
InChIKeyXBVDXJQSEWMFBT-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.78
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 71732962) has the molecular formula C25H18FN3S and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID71732962
Molecular FormulaC25H18FN3S
Molecular Weight411.51 g/mol
Exact Mass411.12
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H18FN3S/c1-17-7-9-18(10-8-17)23-16-30-25(27-23)22-15-29(21-5-3-2-4-6-21)28-24(22)19-11-13-20(26)14-12-19/h2-16H,1H3
InChIKeyXBVDXJQSEWMFBT-UHFFFAOYSA-N
XLogP6.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-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 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole (CID 71732962) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is XBVDXJQSEWMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3S/c1-17-7-9-18(10-8-17)23-16-30-25(27-23)22-15-29(21-5-3-2-4-6-21)28-24(22)19-11-13-20(26)14-12-19/h2-16H,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 411.51 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 71732962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).