2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone

C15H15FN2O2S — CID 59152277

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1nc(-c2ccc(F)cc2)cs1)N1CCCC1
InChIInChI=1S/C15H15FN2O2S/c16-12-5-3-11(4-6-12)13-10-21-15(17-13)20-9-14(19)18-7-1-2-8-18/h3-6,10H,1-2,7-9H2
InChIKeyTYNLKPSVRQUJJG-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.95
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone (PubChem CID 59152277) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone
PubChem CID59152277
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1nc(-c2ccc(F)cc2)cs1)N1CCCC1
InChIInChI=1S/C15H15FN2O2S/c16-12-5-3-11(4-6-12)13-10-21-15(17-13)20-9-14(19)18-7-1-2-8-18/h3-6,10H,1-2,7-9H2
InChIKeyTYNLKPSVRQUJJG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone (CID 59152277) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone is O=C(COc1nc(-c2ccc(F)cc2)cs1)N1CCCC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is TYNLKPSVRQUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-5-3-11(4-6-12)13-10-21-15(17-13)20-9-14(19)18-7-1-2-8-18/h3-6,10H,1-2,7-9H2.
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 306.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 59152277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).