2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole

C24H25N3S — CID 158396248

IUPAC2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESCC(C)c1ccc(CCc2ncc(Cc3cccc(-n4cccn4)c3)s2)cc1
InChIInChI=1S/C24H25N3S/c1-18(2)21-10-7-19(8-11-21)9-12-24-25-17-23(28-24)16-20-5-3-6-22(15-20)27-14-4-13-26-27/h3-8,10-11,13-15,17-18H,9,12,16H2,1-2H3
InChIKeyGXOQVLJMSBZSJI-UHFFFAOYSA-N
MW387.55 g/mol
LogP5.83
Rot. Bonds7

About 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole

2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (PubChem CID 158396248) has the molecular formula C24H25N3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
PubChem CID158396248
Molecular FormulaC24H25N3S
Molecular Weight387.55 g/mol
Exact Mass387.18
IUPAC Name2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
SMILESCC(C)c1ccc(CCc2ncc(Cc3cccc(-n4cccn4)c3)s2)cc1
InChIInChI=1S/C24H25N3S/c1-18(2)21-10-7-19(8-11-21)9-12-24-25-17-23(28-24)16-20-5-3-6-22(15-20)27-14-4-13-26-27/h3-8,10-11,13-15,17-18H,9,12,16H2,1-2H3
InChIKeyGXOQVLJMSBZSJI-UHFFFAOYSA-N
XLogP5.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole (CID 158396248) is 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole is CC(C)c1ccc(CCc2ncc(Cc3cccc(-n4cccn4)c3)s2)cc1.
What is the InChIKey of 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
The InChIKey is GXOQVLJMSBZSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3S/c1-18(2)21-10-7-19(8-11-21)9-12-24-25-17-23(28-24)16-20-5-3-6-22(15-20)27-14-4-13-26-27/h3-8,10-11,13-15,17-18H,9,12,16H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole?
2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole has a molecular weight of 387.55 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylphenyl)ethyl]-5-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 158396248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).