(2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone

C25H27N3O4S — CID 2945389

IUPAC(2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-17-26-20(16-33-17)15-27-10-12-28(13-11-27)25(30)19-6-4-18(5-7-19)24(29)22-14-21(31-2)8-9-23(22)32-3/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyNJTYAYAQWFZYLS-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.66
Rot. Bonds7

About (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone

(2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone (PubChem CID 2945389) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone
PubChem CID2945389
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name(2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-17-26-20(16-33-17)15-27-10-12-28(13-11-27)25(30)19-6-4-18(5-7-19)24(29)22-14-21(31-2)8-9-23(22)32-3/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyNJTYAYAQWFZYLS-UHFFFAOYSA-N
XLogP3.66
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone 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-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone (CID 2945389) is (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone is COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)cc2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone?
The InChIKey is NJTYAYAQWFZYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17-26-20(16-33-17)15-27-10-12-28(13-11-27)25(30)19-6-4-18(5-7-19)24(29)22-14-21(31-2)8-9-23(22)32-3/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone?
(2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone has a molecular weight of 465.58 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 2945389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).