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

C13H15N3O2S — CID 61281777

IUPAC2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)COc2ccc(N)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-9-15-6-12(19-9)7-16-13(17)8-18-11-4-2-10(14)3-5-11/h2-6H,7-8,14H2,1H3,(H,16,17)
InChIKeyQIVGYTWNVRUQSA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.73
Rot. Bonds5

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

2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 61281777) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID61281777
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)COc2ccc(N)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-9-15-6-12(19-9)7-16-13(17)8-18-11-4-2-10(14)3-5-11/h2-6H,7-8,14H2,1H3,(H,16,17)
InChIKeyQIVGYTWNVRUQSA-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86836191
2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171047
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 61281777) is 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncc(CNC(=O)COc2ccc(N)cc2)s1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is QIVGYTWNVRUQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-15-6-12(19-9)7-16-13(17)8-18-11-4-2-10(14)3-5-11/h2-6H,7-8,14H2,1H3,(H,16,17).
What are the key properties of 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 61281777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).