phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone

C14H14N2O2S — CID 121150299

IUPACphenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C14H14N2O2S/c17-13(11-4-2-1-3-5-11)16-8-6-12(10-16)18-14-15-7-9-19-14/h1-5,7,9,12H,6,8,10H2
InChIKeyIYRBIYMYSJTZDB-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.44
Rot. Bonds3

About phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone

phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (PubChem CID 121150299) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
PubChem CID121150299
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Namephenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C14H14N2O2S/c17-13(11-4-2-1-3-5-11)16-8-6-12(10-16)18-14-15-7-9-19-14/h1-5,7,9,12H,6,8,10H2
InChIKeyIYRBIYMYSJTZDB-UHFFFAOYSA-N
XLogP2.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
4-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzonitrile
CID 121150315
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150554
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150506
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121150557
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 121150333
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150388
2-pyrimidin-2-ylsulfanyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150581

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone (CID 121150299) is phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(Oc2nccs2)C1.
What is the InChIKey of phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
The InChIKey is IYRBIYMYSJTZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13(11-4-2-1-3-5-11)16-8-6-12(10-16)18-14-15-7-9-19-14/h1-5,7,9,12H,6,8,10H2.
What are the key properties of phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone?
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone has a molecular weight of 274.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).