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

C20H25N3S — CID 2370269

IUPAC4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(C(C)(C)C)cc3)cs2)n1
InChIInChI=1S/C20H25N3S/c1-14-12-15(2)23(22-14)11-10-19-21-18(13-24-19)16-6-8-17(9-7-16)20(3,4)5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyUEPXYDMWYLQACE-UHFFFAOYSA-N
MW339.51 g/mol
LogP5.16
Rot. Bonds4

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

4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 2370269) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
PubChem CID2370269
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(C(C)(C)C)cc3)cs2)n1
InChIInChI=1S/C20H25N3S/c1-14-12-15(2)23(22-14)11-10-19-21-18(13-24-19)16-6-8-17(9-7-16)20(3,4)5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyUEPXYDMWYLQACE-UHFFFAOYSA-N
XLogP5.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (CID 2370269) is 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3ccc(C(C)(C)C)cc3)cs2)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is UEPXYDMWYLQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-14-12-15(2)23(22-14)11-10-19-21-18(13-24-19)16-6-8-17(9-7-16)20(3,4)5/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 339.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 2370269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).