ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

C17H15FN4O3S — CID 1498332

IUPACethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2NC(C)=O)n1
InChIInChI=1S/C17H15FN4O3S/c1-3-25-16(24)14-9-26-17(20-14)22-15(19-10(2)23)8-13(21-22)11-4-6-12(18)7-5-11/h4-9H,3H2,1-2H3,(H,19,23)
InChIKeyGYIWZCIXEUUDQW-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.27
Rot. Bonds5

About ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 1498332) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID1498332
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Nameethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2NC(C)=O)n1
InChIInChI=1S/C17H15FN4O3S/c1-3-25-16(24)14-9-26-17(20-14)22-15(19-10(2)23)8-13(21-22)11-4-6-12(18)7-5-11/h4-9H,3H2,1-2H3,(H,19,23)
InChIKeyGYIWZCIXEUUDQW-UHFFFAOYSA-N
XLogP3.27
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (CID 1498332) is ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2NC(C)=O)n1.
What is the InChIKey of ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is GYIWZCIXEUUDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-3-25-16(24)14-9-26-17(20-14)22-15(19-10(2)23)8-13(21-22)11-4-6-12(18)7-5-11/h4-9H,3H2,1-2H3,(H,19,23).
What are the key properties of ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-acetamido-3-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1498332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).