4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole

C22H17N3S2 — CID 45150745

IUPAC4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
SMILESc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H17N3S2/c1-3-8-16(9-4-1)18-14-20(21-12-7-13-26-21)25(24-18)22-23-19(15-27-22)17-10-5-2-6-11-17/h1-13,15,20H,14H2
InChIKeyVQORRDLPYCKOPP-UHFFFAOYSA-N
MW387.53 g/mol
LogP6.23
Rot. Bonds4

About 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole

4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole (PubChem CID 45150745) has the molecular formula C22H17N3S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
PubChem CID45150745
Molecular FormulaC22H17N3S2
Molecular Weight387.53 g/mol
Exact Mass387.09
IUPAC Name4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
SMILESc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H17N3S2/c1-3-8-16(9-4-1)18-14-20(21-12-7-13-26-21)25(24-18)22-23-19(15-27-22)17-10-5-2-6-11-17/h1-13,15,20H,14H2
InChIKeyVQORRDLPYCKOPP-UHFFFAOYSA-N
XLogP6.23
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole (CID 45150745) is 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole is c1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1.
What is the InChIKey of 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
The InChIKey is VQORRDLPYCKOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3S2/c1-3-8-16(9-4-1)18-14-20(21-12-7-13-26-21)25(24-18)22-23-19(15-27-22)17-10-5-2-6-11-17/h1-13,15,20H,14H2.
What are the key properties of 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole?
4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole has a molecular weight of 387.53 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 45150745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).