[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C15H15FN2O2S — CID 46066859

IUPAC[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-20-10-4-5-11(12(16)8-10)14-17-13(9-21-14)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyYGKMEGYKBZLZHQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.19
Rot. Bonds3

About [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 46066859) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID46066859
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-20-10-4-5-11(12(16)8-10)14-17-13(9-21-14)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyYGKMEGYKBZLZHQ-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 46066859) is [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YGKMEGYKBZLZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-20-10-4-5-11(12(16)8-10)14-17-13(9-21-14)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 306.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46066859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).