[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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Related Compounds

1-[2-(Phenoxymethyl)-4-thiazolyl]ethanone
CID 2744803
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 155754761
4-{[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 2821632
2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazole-4-carboxamide (4b)
CID 127054050
2-(Phenoxymethyl)thiazole-4-carbaldehyde
CID 28287671
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 2821634
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 56810267
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)butanamide
CID 168269504
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 11220811
[(3S)-3-(3-chlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 97070138
[2-[(2-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 24712457

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).