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

C19H20FN3O2S — CID 90184612

IUPACethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cnn(C(C)C)c2-c2ccc(F)cc2)n1
InChIInChI=1S/C19H20FN3O2S/c1-4-25-17(24)9-15-11-26-19(22-15)16-10-21-23(12(2)3)18(16)13-5-7-14(20)8-6-13/h5-8,10-12H,4,9H2,1-3H3
InChIKeyGDXSQMYNVQXAIL-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.50
Rot. Bonds6

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

ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate (PubChem CID 90184612) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate
PubChem CID90184612
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Nameethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cnn(C(C)C)c2-c2ccc(F)cc2)n1
InChIInChI=1S/C19H20FN3O2S/c1-4-25-17(24)9-15-11-26-19(22-15)16-10-21-23(12(2)3)18(16)13-5-7-14(20)8-6-13/h5-8,10-12H,4,9H2,1-3H3
InChIKeyGDXSQMYNVQXAIL-UHFFFAOYSA-N
XLogP4.50
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-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-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]acetate
CID 86721181
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 86721189
ethyl 2-[2-(5-bromo-1-tert-butylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 86721242
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80575049
ethyl 2-[2-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 81312374
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]acetic acid;2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-1-thiomorpholin-4-ylethanone
CID 159793263

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate (CID 90184612) is ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2cnn(C(C)C)c2-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate?
The InChIKey is GDXSQMYNVQXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-4-25-17(24)9-15-11-26-19(22-15)16-10-21-23(12(2)3)18(16)13-5-7-14(20)8-6-13/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate has a molecular weight of 373.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[5-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 90184612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).