methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate

C15H17FN2O2S — CID 106509505

IUPACmethyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate
SMILESCOC(=O)C(CN)(Cc1cnc(C)s1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-18-8-13(21-10)7-15(9-17,14(19)20-2)11-4-3-5-12(16)6-11/h3-6,8H,7,9,17H2,1-2H3
InChIKeyHJLZDSZRXRBKLY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.20
Rot. Bonds5

About methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate

methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate (PubChem CID 106509505) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate
PubChem CID106509505
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Namemethyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate
SMILESCOC(=O)C(CN)(Cc1cnc(C)s1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-18-8-13(21-10)7-15(9-17,14(19)20-2)11-4-3-5-12(16)6-11/h3-6,8H,7,9,17H2,1-2H3
InChIKeyHJLZDSZRXRBKLY-UHFFFAOYSA-N
XLogP2.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate 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

methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propoxybutanoate
CID 106509489
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propan-2-yloxybutanoate
CID 106509496
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-6-hydroxyhexanoate
CID 106490298
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
methyl 2-(aminomethyl)-2-(3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanoate
CID 106706861
ethyl 2-(aminomethyl)-2-(3-methylphenyl)-3-thiophen-2-ylpropanoate
CID 106490696
ethyl 2-(aminomethyl)-4-cyclopropyl-2-(3-fluorophenyl)butanoate
CID 106490280
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-methylsulfonylbutanoate
CID 106490287
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
2-(aminomethyl)-3-ethoxy-2-(3-fluorophenyl)propanoic acid
CID 106490477

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate (CID 106509505) is methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate is COC(=O)C(CN)(Cc1cnc(C)s1)c1cccc(F)c1.
What is the InChIKey of methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate?
The InChIKey is HJLZDSZRXRBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-18-8-13(21-10)7-15(9-17,14(19)20-2)11-4-3-5-12(16)6-11/h3-6,8H,7,9,17H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate?
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate has a molecular weight of 308.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)propanoate is sourced from PubChem (CID 106509505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).