2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C25H21N3S — CID 45150771

IUPAC2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H21N3S/c1-18-12-14-20(15-13-18)22-16-24(21-10-6-3-7-11-21)28(27-22)25-26-23(17-29-25)19-8-4-2-5-9-19/h2-15,17,24H,16H2,1H3
InChIKeyPIOWXTBDYSINRX-UHFFFAOYSA-N
MW395.53 g/mol
LogP6.47
Rot. Bonds4

About 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45150771) has the molecular formula C25H21N3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45150771
Molecular FormulaC25H21N3S
Molecular Weight395.53 g/mol
Exact Mass395.15
IUPAC Name2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H21N3S/c1-18-12-14-20(15-13-18)22-16-24(21-10-6-3-7-11-21)28(27-22)25-26-23(17-29-25)19-8-4-2-5-9-19/h2-15,17,24H,16H2,1H3
InChIKeyPIOWXTBDYSINRX-UHFFFAOYSA-N
XLogP6.47
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45150771) is 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is PIOWXTBDYSINRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3S/c1-18-12-14-20(15-13-18)22-16-24(21-10-6-3-7-11-21)28(27-22)25-26-23(17-29-25)19-8-4-2-5-9-19/h2-15,17,24H,16H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 395.53 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45150771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).