2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole

C23H25N3O4S — CID 46246152

IUPAC2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(C)cs3)C(c3cc(OC)c(OC)c(OC)c3)C2)cc1
InChIInChI=1S/C23H25N3O4S/c1-14-13-31-23(24-14)26-19(12-18(25-26)15-6-8-17(27-2)9-7-15)16-10-20(28-3)22(30-5)21(11-16)29-4/h6-11,13,19H,12H2,1-5H3
InChIKeyCSUGGCCSONYPFC-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.84
Rot. Bonds7

About 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole

2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 46246152) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID46246152
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(C)cs3)C(c3cc(OC)c(OC)c(OC)c3)C2)cc1
InChIInChI=1S/C23H25N3O4S/c1-14-13-31-23(24-14)26-19(12-18(25-26)15-6-8-17(27-2)9-7-15)16-10-20(28-3)22(30-5)21(11-16)29-4/h6-11,13,19H,12H2,1-5H3
InChIKeyCSUGGCCSONYPFC-UHFFFAOYSA-N
XLogP4.84
TPSA65.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (CID 46246152) is 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is COc1ccc(C2=NN(c3nc(C)cs3)C(c3cc(OC)c(OC)c(OC)c3)C2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is CSUGGCCSONYPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-14-13-31-23(24-14)26-19(12-18(25-26)15-6-8-17(27-2)9-7-15)16-10-20(28-3)22(30-5)21(11-16)29-4/h6-11,13,19H,12H2,1-5H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 439.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 46246152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).