2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C20H26N4OS — CID 131905649

IUPAC2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(-c2ccccc2)cs1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H26N4OS/c1-15-18(16(2)23(3)22-15)12-24(10-11-25-4)13-20-21-19(14-26-20)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3
InChIKeyRDDVCPVQYGIJHQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.81
Rot. Bonds8

About 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 131905649) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID131905649
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(-c2ccccc2)cs1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H26N4OS/c1-15-18(16(2)23(3)22-15)12-24(10-11-25-4)13-20-21-19(14-26-20)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3
InChIKeyRDDVCPVQYGIJHQ-UHFFFAOYSA-N
XLogP3.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine 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-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 131905649) is 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is COCCN(Cc1nc(-c2ccccc2)cs1)Cc1c(C)nn(C)c1C.
What is the InChIKey of 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is RDDVCPVQYGIJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15-18(16(2)23(3)22-15)12-24(10-11-25-4)13-20-21-19(14-26-20)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 370.52 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 131905649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).