N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide

C19H26N2O3S — CID 46009131

IUPACN-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
SMILESCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)COC
InChIInChI=1S/C19H26N2O3S/c1-5-9-21(19(22)12-23-4)10-16-13-25-18(20-16)11-24-17-8-6-7-14(2)15(17)3/h6-8,13H,5,9-12H2,1-4H3
InChIKeyIKKOMJQILADOMM-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.72
Rot. Bonds9

About N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide

N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide (PubChem CID 46009131) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
PubChem CID46009131
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
SMILESCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)COC
InChIInChI=1S/C19H26N2O3S/c1-5-9-21(19(22)12-23-4)10-16-13-25-18(20-16)11-24-17-8-6-7-14(2)15(17)3/h6-8,13H,5,9-12H2,1-4H3
InChIKeyIKKOMJQILADOMM-UHFFFAOYSA-N
XLogP3.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopentanecarboxamide
CID 46009128
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 46009109
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide
CID 46150389
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
CID 46008893
N-[2-(dimethylamino)ethyl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 42837446
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46009286
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 46009064
N-(2-methoxyethyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008528
N-[3-(dimethylamino)propyl]-N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluorobenzamide
CID 42682512
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009379
2-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42837458

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
The IUPAC name of N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide (CID 46009131) is N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide.
What is the SMILES notation for N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
The canonical SMILES for N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide is CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)COC.
What is the InChIKey of N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
The InChIKey is IKKOMJQILADOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-5-9-21(19(22)12-23-4)10-16-13-25-18(20-16)11-24-17-8-6-7-14(2)15(17)3/h6-8,13H,5,9-12H2,1-4H3.
What are the key properties of N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide has a molecular weight of 362.50 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide is sourced from PubChem (CID 46009131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).