2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide

C14H17N3O2S — CID 28857519

IUPAC2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C14H17N3O2S/c1-2-6-16-13(18)8-19-11-5-3-4-10(7-11)12-9-20-14(15)17-12/h3-5,7,9H,2,6,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyOZGOVOQAQPWJGR-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.30
Rot. Bonds6

About 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide

2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide (PubChem CID 28857519) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide
PubChem CID28857519
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C14H17N3O2S/c1-2-6-16-13(18)8-19-11-5-3-4-10(7-11)12-9-20-14(15)17-12/h3-5,7,9H,2,6,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyOZGOVOQAQPWJGR-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 28857104
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 28857238
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 28865252
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
CID 28857485
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55356708
4-[3-[4-(2-methylphenoxy)butoxy]phenyl]-1,3-thiazol-2-amine
CID 28857491

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide?
The IUPAC name of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide (CID 28857519) is 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide is CCCNC(=O)COc1cccc(-c2csc(N)n2)c1.
What is the InChIKey of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide?
The InChIKey is OZGOVOQAQPWJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-6-16-13(18)8-19-11-5-3-4-10(7-11)12-9-20-14(15)17-12/h3-5,7,9H,2,6,8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide?
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide has a molecular weight of 291.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide is sourced from PubChem (CID 28857519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).