ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate

C13H14FNO2S — CID 155807650

IUPACethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)CC1CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C13H14FNO2S/c1-2-17-12(16)7-11-8-18-13(15-11)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3
InChIKeyBBBHGYBFIVDLHZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.64
Rot. Bonds4

About ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate (PubChem CID 155807650) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
PubChem CID155807650
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Nameethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)CC1CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C13H14FNO2S/c1-2-17-12(16)7-11-8-18-13(15-11)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3
InChIKeyBBBHGYBFIVDLHZ-UHFFFAOYSA-N
XLogP2.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate (CID 155807650) is ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate is CCOC(=O)CC1CSC(c2ccc(F)cc2)=N1.
What is the InChIKey of ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The InChIKey is BBBHGYBFIVDLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-2-17-12(16)7-11-8-18-13(15-11)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate has a molecular weight of 267.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 155807650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).