[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate

C15H11FN2O2S — CID 8548947

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc[nH]1
InChIInChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)14-18-12(9-21-14)8-20-15(19)13-2-1-7-17-13/h1-7,9,17H,8H2
InChIKeyYLJWOXGVKOWXOF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.63
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate (PubChem CID 8548947) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate
PubChem CID8548947
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc[nH]1
InChIInChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)14-18-12(9-21-14)8-20-15(19)13-2-1-7-17-13/h1-7,9,17H,8H2
InChIKeyYLJWOXGVKOWXOF-UHFFFAOYSA-N
XLogP3.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate (CID 8548947) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate is O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc[nH]1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate?
The InChIKey is YLJWOXGVKOWXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)14-18-12(9-21-14)8-20-15(19)13-2-1-7-17-13/h1-7,9,17H,8H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8548947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).