[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C15H15FN2O2S — CID 24712460

IUPAC[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(COc2cccc(F)c2)n1)N1CCCC1
InChIInChI=1S/C15H15FN2O2S/c16-11-4-3-5-12(8-11)20-9-14-17-13(10-21-14)15(19)18-6-1-2-7-18/h3-5,8,10H,1-2,6-7,9H2
InChIKeyXKSASIPPKJPZJX-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.10
Rot. Bonds4

About [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24712460) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24712460
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(COc2cccc(F)c2)n1)N1CCCC1
InChIInChI=1S/C15H15FN2O2S/c16-11-4-3-5-12(8-11)20-9-14-17-13(10-21-14)15(19)18-6-1-2-7-18/h3-5,8,10H,1-2,6-7,9H2
InChIKeyXKSASIPPKJPZJX-UHFFFAOYSA-N
XLogP3.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 24712460) is [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1csc(COc2cccc(F)c2)n1)N1CCCC1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XKSASIPPKJPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-11-4-3-5-12(8-11)20-9-14-17-13(10-21-14)15(19)18-6-1-2-7-18/h3-5,8,10H,1-2,6-7,9H2.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 306.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24712460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).