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

C23H25N3O4S — CID 46246151

IUPAC2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1C1=NN(c2nc(C)cs2)C(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C23H25N3O4S/c1-14-13-31-23(24-14)26-18(12-17(25-26)16-8-6-7-9-19(16)27-2)15-10-20(28-3)22(30-5)21(11-15)29-4/h6-11,13,18H,12H2,1-5H3
InChIKeyLJFCXMZRYHRIRO-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.84
Rot. Bonds7

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

2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 46246151) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID46246151
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1C1=NN(c2nc(C)cs2)C(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C23H25N3O4S/c1-14-13-31-23(24-14)26-18(12-17(25-26)16-8-6-7-9-19(16)27-2)15-10-20(28-3)22(30-5)21(11-15)29-4/h6-11,13,18H,12H2,1-5H3
InChIKeyLJFCXMZRYHRIRO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (CID 46246151) is 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is COc1ccccc1C1=NN(c2nc(C)cs2)C(c2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is LJFCXMZRYHRIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-14-13-31-23(24-14)26-18(12-17(25-26)16-8-6-7-9-19(16)27-2)15-10-20(28-3)22(30-5)21(11-15)29-4/h6-11,13,18H,12H2,1-5H3.
What are the key properties of 2-[5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
2-[5-(2-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-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 46246151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).