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

C19H23N3O3S — CID 2422550

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2csc(CCn3nc(C)cc3C)n2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O3S/c1-12-8-13(2)22(21-12)7-6-18-20-15(11-26-18)14-9-16(23-3)19(25-5)17(10-14)24-4/h8-11H,6-7H2,1-5H3
InChIKeyVLLJXEKXIRAEQJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.89
Rot. Bonds7

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

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole (PubChem CID 2422550) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
PubChem CID2422550
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2csc(CCn3nc(C)cc3C)n2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O3S/c1-12-8-13(2)22(21-12)7-6-18-20-15(11-26-18)14-9-16(23-3)19(25-5)17(10-14)24-4/h8-11H,6-7H2,1-5H3
InChIKeyVLLJXEKXIRAEQJ-UHFFFAOYSA-N
XLogP3.89
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole (CID 2422550) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole is COc1cc(-c2csc(CCn3nc(C)cc3C)n2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The InChIKey is VLLJXEKXIRAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-8-13(2)22(21-12)7-6-18-20-15(11-26-18)14-9-16(23-3)19(25-5)17(10-14)24-4/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole has a molecular weight of 373.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 2422550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).