2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline

C22H26N2OS — CID 144799636

IUPAC2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cc(C)c(-c2nc(C)sc2C)cc1C
InChIInChI=1S/C22H26N2OS/c1-13-8-7-9-20(23-6)19(13)12-25-21-11-14(2)18(10-15(21)3)22-16(4)26-17(5)24-22/h7-11,23H,12H2,1-6H3
InChIKeyVMDZSSPNQYENPW-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.97
Rot. Bonds5

About 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline

2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline (PubChem CID 144799636) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
PubChem CID144799636
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cc(C)c(-c2nc(C)sc2C)cc1C
InChIInChI=1S/C22H26N2OS/c1-13-8-7-9-20(23-6)19(13)12-25-21-11-14(2)18(10-15(21)3)22-16(4)26-17(5)24-22/h7-11,23H,12H2,1-6H3
InChIKeyVMDZSSPNQYENPW-UHFFFAOYSA-N
XLogP5.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
The IUPAC name of 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline (CID 144799636) is 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline.
What is the SMILES notation for 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
The canonical SMILES for 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline is CNc1cccc(C)c1COc1cc(C)c(-c2nc(C)sc2C)cc1C.
What is the InChIKey of 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
The InChIKey is VMDZSSPNQYENPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-13-8-7-9-20(23-6)19(13)12-25-21-11-14(2)18(10-15(21)3)22-16(4)26-17(5)24-22/h7-11,23H,12H2,1-6H3.
What are the key properties of 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline has a molecular weight of 366.53 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 144799636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).