2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole

C22H21N3S — CID 2328627

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C22H21N3S/c1-16-14-17(2)25(24-16)13-12-22-23-21(15-26-22)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyWVEVEBPVJQVWBV-UHFFFAOYSA-N
MW359.50 g/mol
LogP5.53
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole (PubChem CID 2328627) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole
PubChem CID2328627
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C22H21N3S/c1-16-14-17(2)25(24-16)13-12-22-23-21(15-26-22)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyWVEVEBPVJQVWBV-UHFFFAOYSA-N
XLogP5.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole (CID 2328627) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole?
The InChIKey is WVEVEBPVJQVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-16-14-17(2)25(24-16)13-12-22-23-21(15-26-22)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole has a molecular weight of 359.50 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 2328627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).