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

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Related Compounds

5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476741
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enenitrile
CID 6089311
CID 15944745
CID 15944745
N-[3-(1-methylpyrazol-3-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532377
5-[1-(4-Fluorophenyl)sulfonyl-3-pyrazolyl]-2-phenylthiazole
CID 1476742
US9790203, Example 17
CID 76283385
5-[(3-Phenylindazol-1-yl)methyl]-1,3-thiazole
CID 73504778
2-[(3-Phenylindazol-1-yl)methyl]-1,3-thiazole
CID 73504779

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).