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

C26H23N3S — CID 45150784

IUPAC2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H23N3S/c1-18-8-12-21(13-9-18)23-16-25(22-14-10-19(2)11-15-22)29(28-23)26-27-24(17-30-26)20-6-4-3-5-7-20/h3-15,17,25H,16H2,1-2H3
InChIKeyWVHVEPCLGWYHLE-UHFFFAOYSA-N
MW409.56 g/mol
LogP6.78
Rot. Bonds4

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

2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45150784) has the molecular formula C26H23N3S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45150784
Molecular FormulaC26H23N3S
Molecular Weight409.56 g/mol
Exact Mass409.16
IUPAC Name2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H23N3S/c1-18-8-12-21(13-9-18)23-16-25(22-14-10-19(2)11-15-22)29(28-23)26-27-24(17-30-26)20-6-4-3-5-7-20/h3-15,17,25H,16H2,1-2H3
InChIKeyWVHVEPCLGWYHLE-UHFFFAOYSA-N
XLogP6.78
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45150784) is 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is WVHVEPCLGWYHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3S/c1-18-8-12-21(13-9-18)23-16-25(22-14-10-19(2)11-15-22)29(28-23)26-27-24(17-30-26)20-6-4-3-5-7-20/h3-15,17,25H,16H2,1-2H3.
What are the key properties of 2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 409.56 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-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45150784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).