N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide

C20H28N4OS — CID 42934915

IUPACN-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C20H28N4OS/c1-14-5-6-15(2)19(11-14)22-20(25)16(3)24-9-7-23(8-10-24)12-18-13-26-17(4)21-18/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,22,25)
InChIKeyJPGJZAOBOCWGLO-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.21
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide

N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 42934915) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
PubChem CID42934915
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C20H28N4OS/c1-14-5-6-15(2)19(11-14)22-20(25)16(3)24-9-7-23(8-10-24)12-18-13-26-17(4)21-18/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,22,25)
InChIKeyJPGJZAOBOCWGLO-UHFFFAOYSA-N
XLogP3.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide 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 N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (CID 42934915) is N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is Cc1ccc(C)c(NC(=O)C(C)N2CCN(Cc3csc(C)n3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is JPGJZAOBOCWGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14-5-6-15(2)19(11-14)22-20(25)16(3)24-9-7-23(8-10-24)12-18-13-26-17(4)21-18/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 372.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 42934915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).