2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

C16H19ClN2O2S — CID 108760150

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cs1
InChIInChI=1S/C16H19ClN2O2S/c1-9-5-13(6-10(2)16(9)17)21-7-15(20)18-11(3)14-8-22-12(4)19-14/h5-6,8,11H,7H2,1-4H3,(H,18,20)
InChIKeyKGIOVILEKQULNT-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 108760150) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID108760150
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cs1
InChIInChI=1S/C16H19ClN2O2S/c1-9-5-13(6-10(2)16(9)17)21-7-15(20)18-11(3)14-8-22-12(4)19-14/h5-6,8,11H,7H2,1-4H3,(H,18,20)
InChIKeyKGIOVILEKQULNT-UHFFFAOYSA-N
XLogP3.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43915360
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 108737244
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-one
CID 78949200
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538493
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737233
4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54865366

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 108760150) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1nc(C(C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cs1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is KGIOVILEKQULNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-9-5-13(6-10(2)16(9)17)21-7-15(20)18-11(3)14-8-22-12(4)19-14/h5-6,8,11H,7H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 338.86 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 108760150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).