2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H15N3O2S — CID 106485075

IUPAC2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2cccc(CN)c2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-8-19-13(15-9)16-12(17)7-18-11-4-2-3-10(5-11)6-14/h2-5,8H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyOZMJTDWDPGMKLT-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.93
Rot. Bonds5

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

2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 106485075) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID106485075
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2cccc(CN)c2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-8-19-13(15-9)16-12(17)7-18-11-4-2-3-10(5-11)6-14/h2-5,8H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyOZMJTDWDPGMKLT-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131
2-chloro-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 106500579
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid
CID 61196286
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-ethylphenoxy)acetamide
CID 19197029
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
2-(4-butan-2-ylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361593
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 106485075) is 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)COc2cccc(CN)c2)n1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OZMJTDWDPGMKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-8-19-13(15-9)16-12(17)7-18-11-4-2-3-10(5-11)6-14/h2-5,8H,6-7,14H2,1H3,(H,15,16,17).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 106485075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).