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

C24H27N3OS — CID 15944745

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol
SMILESCCO.Cc1cc(C)n(CCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C22H21N3S.C2H6O/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;1-2-3/h3-11,14-15H,12-13H2,1-2H3;3H,2H2,1H3
InChIKeyIWSLPEXWSRVODY-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.53
Rot. Bonds5

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

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol (PubChem CID 15944745) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol
PubChem CID15944745
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol
SMILESCCO.Cc1cc(C)n(CCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C22H21N3S.C2H6O/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;1-2-3/h3-11,14-15H,12-13H2,1-2H3;3H,2H2,1H3
InChIKeyIWSLPEXWSRVODY-UHFFFAOYSA-N
XLogP5.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;ethanol?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol (CID 15944745) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol is CCO.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;ethanol?
The InChIKey is IWSLPEXWSRVODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S.C2H6O/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;1-2-3/h3-11,14-15H,12-13H2,1-2H3;3H,2H2,1H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-phenylphenyl)-1,3-thiazole;ethanol has a molecular weight of 405.57 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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;ethanol is sourced from PubChem (CID 15944745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).