[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C14H13FN2OS — CID 53014946

IUPAC[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccc(F)c2)ns1)N1CCCC1
InChIInChI=1S/C14H13FN2OS/c15-11-5-3-4-10(8-11)12-9-13(19-16-12)14(18)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2
InChIKeyABTZVEXEVCVJLF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.19
Rot. Bonds2

About [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53014946) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID53014946
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccc(F)c2)ns1)N1CCCC1
InChIInChI=1S/C14H13FN2OS/c15-11-5-3-4-10(8-11)12-9-13(19-16-12)14(18)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2
InChIKeyABTZVEXEVCVJLF-UHFFFAOYSA-N
XLogP3.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 53014946) is [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2cccc(F)c2)ns1)N1CCCC1.
What is the InChIKey of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ABTZVEXEVCVJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-11-5-3-4-10(8-11)12-9-13(19-16-12)14(18)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2.
What are the key properties of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53014946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).