ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate

C17H21FN2O2S — CID 70349133

IUPACethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CNCCCc2cccc(F)c2)n1
InChIInChI=1S/C17H21FN2O2S/c1-2-22-17(21)10-15-12-23-16(20-15)11-19-8-4-6-13-5-3-7-14(18)9-13/h3,5,7,9,12,19H,2,4,6,8,10-11H2,1H3
InChIKeyMIMPNACXVWTMMB-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.11
Rot. Bonds9

About ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 70349133) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate
PubChem CID70349133
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Nameethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(CNCCCc2cccc(F)c2)n1
InChIInChI=1S/C17H21FN2O2S/c1-2-22-17(21)10-15-12-23-16(20-15)11-19-8-4-6-13-5-3-7-14(18)9-13/h3,5,7,9,12,19H,2,4,6,8,10-11H2,1H3
InChIKeyMIMPNACXVWTMMB-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate 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-[[3-(3-fluorophenyl)propylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70349122
ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80575641
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31593146
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate
CID 154844984
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(3-fluorophenyl)acetate
CID 55324992
2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 55650163
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate (CID 70349133) is ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(CNCCCc2cccc(F)c2)n1.
What is the InChIKey of ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is MIMPNACXVWTMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-2-22-17(21)10-15-12-23-16(20-15)11-19-8-4-6-13-5-3-7-14(18)9-13/h3,5,7,9,12,19H,2,4,6,8,10-11H2,1H3.
What are the key properties of ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 336.43 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 70349133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).