2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide

C13H13ClN2O2S — CID 800397

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H13ClN2O2S/c1-13(2,11(17)16-12-15-7-8-19-12)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyLIYKMEVZIOOVLZ-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 800397) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID800397
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H13ClN2O2S/c1-13(2,11(17)16-12-15-7-8-19-12)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyLIYKMEVZIOOVLZ-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-thiazol-2-yl-
CID 667798
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
CID 3148028
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 720854
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
2-(2-chlorophenoxy)-N-(5-methylthiazol-2-yl)acetamide
CID 2673126
2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 3152621
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide (CID 800397) is 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LIYKMEVZIOOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-13(2,11(17)16-12-15-7-8-19-12)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 296.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 800397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).