2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone

C15H17N3O2S — CID 28857676

IUPAC2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESNc1nc(-c2ccccc2OCC(=O)N2CCCC2)cs1
InChIInChI=1S/C15H17N3O2S/c16-15-17-12(10-21-15)11-5-1-2-6-13(11)20-9-14(19)18-7-3-4-8-18/h1-2,5-6,10H,3-4,7-9H2,(H2,16,17)
InChIKeyOYGSQYNTNMOCQJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.39
Rot. Bonds4

About 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 28857676) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID28857676
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESNc1nc(-c2ccccc2OCC(=O)N2CCCC2)cs1
InChIInChI=1S/C15H17N3O2S/c16-15-17-12(10-21-15)11-5-1-2-6-13(11)20-9-14(19)18-7-3-4-8-18/h1-2,5-6,10H,3-4,7-9H2,(H2,16,17)
InChIKeyOYGSQYNTNMOCQJ-UHFFFAOYSA-N
XLogP2.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
CID 28857824
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28857665
4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
CID 28857982
1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone
CID 57096120
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578
2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 114764422
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 168627059
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone (CID 28857676) is 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone is Nc1nc(-c2ccccc2OCC(=O)N2CCCC2)cs1.
What is the InChIKey of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is OYGSQYNTNMOCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-15-17-12(10-21-15)11-5-1-2-6-13(11)20-9-14(19)18-7-3-4-8-18/h1-2,5-6,10H,3-4,7-9H2,(H2,16,17).
What are the key properties of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 303.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 28857676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).