2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide

C17H23N3O2S — CID 71968059

IUPAC2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCCc1ncc(CNc2ccc(C)cc2OCC(=O)N(C)C)s1
InChIInChI=1S/C17H23N3O2S/c1-5-16-19-10-13(23-16)9-18-14-7-6-12(2)8-15(14)22-11-17(21)20(3)4/h6-8,10,18H,5,9,11H2,1-4H3
InChIKeyAZCJRQSODVOGFK-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.09
Rot. Bonds7

About 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide

2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide (PubChem CID 71968059) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
PubChem CID71968059
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCCc1ncc(CNc2ccc(C)cc2OCC(=O)N(C)C)s1
InChIInChI=1S/C17H23N3O2S/c1-5-16-19-10-13(23-16)9-18-14-7-6-12(2)8-15(14)22-11-17(21)20(3)4/h6-8,10,18H,5,9,11H2,1-4H3
InChIKeyAZCJRQSODVOGFK-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide (CID 71968059) is 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide is CCc1ncc(CNc2ccc(C)cc2OCC(=O)N(C)C)s1.
What is the InChIKey of 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
The InChIKey is AZCJRQSODVOGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-16-19-10-13(23-16)9-18-14-7-6-12(2)8-15(14)22-11-17(21)20(3)4/h6-8,10,18H,5,9,11H2,1-4H3.
What are the key properties of 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide has a molecular weight of 333.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-5-methylphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 71968059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).