(5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate

C16H15FN2O3S — CID 75500394

IUPAC(5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
SMILESO=C1CCC(COC(=O)c2csc(Cc3cccc(F)c3)n2)N1
InChIInChI=1S/C16H15FN2O3S/c17-11-3-1-2-10(6-11)7-15-19-13(9-23-15)16(21)22-8-12-4-5-14(20)18-12/h1-3,6,9,12H,4-5,7-8H2,(H,18,20)
InChIKeyNLDHHBSMHNNUMW-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.31
Rot. Bonds5

About (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate

(5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate (PubChem CID 75500394) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
PubChem CID75500394
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
SMILESO=C1CCC(COC(=O)c2csc(Cc3cccc(F)c3)n2)N1
InChIInChI=1S/C16H15FN2O3S/c17-11-3-1-2-10(6-11)7-15-19-13(9-23-15)16(21)22-8-12-4-5-14(20)18-12/h1-3,6,9,12H,4-5,7-8H2,(H,18,20)
InChIKeyNLDHHBSMHNNUMW-UHFFFAOYSA-N
XLogP2.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate (CID 75500394) is (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate is O=C1CCC(COC(=O)c2csc(Cc3cccc(F)c3)n2)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is NLDHHBSMHNNUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c17-11-3-1-2-10(6-11)7-15-19-13(9-23-15)16(21)22-8-12-4-5-14(20)18-12/h1-3,6,9,12H,4-5,7-8H2,(H,18,20).
What are the key properties of (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate?
(5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75500394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).