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

C15H13FN4O2S — CID 176551202

IUPACethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccccc3F)cc2N)n1
InChIInChI=1S/C15H13FN4O2S/c1-2-22-14(21)12-8-23-15(18-12)20-13(17)7-11(19-20)9-5-3-4-6-10(9)16/h3-8H,2,17H2,1H3
InChIKeyJEJNWOYICCQFST-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.89
Rot. Bonds4

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

ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 176551202) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID176551202
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Nameethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccccc3F)cc2N)n1
InChIInChI=1S/C15H13FN4O2S/c1-2-22-14(21)12-8-23-15(18-12)20-13(17)7-11(19-20)9-5-3-4-6-10(9)16/h3-8H,2,17H2,1H3
InChIKeyJEJNWOYICCQFST-UHFFFAOYSA-N
XLogP2.89
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-Phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
CID 1498318
2-(4-Fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611763
2-[5-(3-Fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611764
2-(4-Methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 46220498
2-[5-(4-Fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179287
2-[3,5-Diphenyl-4-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 68329608
2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121461897
methyl 5-amino-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxylate
CID 3768908
2-[4-Methyl-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 72547455
2-[3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1496733
2-(5-Acetamido-3-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 137639861
2-(4-Ethyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (CID 176551202) is ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-n2nc(-c3ccccc3F)cc2N)n1.
What is the InChIKey of ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is JEJNWOYICCQFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-2-22-14(21)12-8-23-15(18-12)20-13(17)7-11(19-20)9-5-3-4-6-10(9)16/h3-8H,2,17H2,1H3.
What are the key properties of ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-3-(2-fluorophenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 176551202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).