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

C18H21N3O2S — CID 2328847

IUPAC4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(CCn3nc(C)cc3C)n2)cc1OC
InChIInChI=1S/C18H21N3O2S/c1-12-9-13(2)21(20-12)8-7-18-19-15(11-24-18)14-5-6-16(22-3)17(10-14)23-4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyLIYYWKKTXFSYKX-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.88
Rot. Bonds6

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

4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 2328847) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
PubChem CID2328847
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(CCn3nc(C)cc3C)n2)cc1OC
InChIInChI=1S/C18H21N3O2S/c1-12-9-13(2)21(20-12)8-7-18-19-15(11-24-18)14-5-6-16(22-3)17(10-14)23-4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyLIYYWKKTXFSYKX-UHFFFAOYSA-N
XLogP3.88
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (CID 2328847) is 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is COc1ccc(-c2csc(CCn3nc(C)cc3C)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is LIYYWKKTXFSYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-9-13(2)21(20-12)8-7-18-19-15(11-24-18)14-5-6-16(22-3)17(10-14)23-4/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 343.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 2328847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).