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

C18H21N3O2S — CID 4039224

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

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

4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 4039224) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
PubChem CID4039224
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2csc(CCn3nc(C)cc3C)n2)c1
InChIInChI=1S/C18H21N3O2S/c1-12-9-13(2)21(20-12)8-7-18-19-16(11-24-18)15-10-14(22-3)5-6-17(15)23-4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyONVOCRCASLCTJW-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-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (CID 4039224) is 4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is COc1ccc(OC)c(-c2csc(CCn3nc(C)cc3C)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is ONVOCRCASLCTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-9-13(2)21(20-12)8-7-18-19-16(11-24-18)15-10-14(22-3)5-6-17(15)23-4/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
4-(2,5-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-(2,5-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 4039224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).