azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

C14H14N2O2S — CID 134041483

IUPACazetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cscn2)c1)N1CCC1
InChIInChI=1S/C14H14N2O2S/c17-14(16-5-2-6-16)11-3-1-4-13(7-11)18-8-12-9-19-10-15-12/h1,3-4,7,9-10H,2,5-6,8H2
InChIKeyZDJYCCNPKNOMHJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.57
Rot. Bonds4

About azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 134041483) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID134041483
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Nameazetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cscn2)c1)N1CCC1
InChIInChI=1S/C14H14N2O2S/c17-14(16-5-2-6-16)11-3-1-4-13(7-11)18-8-12-9-19-10-15-12/h1,3-4,7,9-10H,2,5-6,8H2
InChIKeyZDJYCCNPKNOMHJ-UHFFFAOYSA-N
XLogP2.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 55970553
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 86905301
(3R)-3-methyl-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695731
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 27860198
N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 55782323
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56567793
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134010113
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 134041483) is azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is O=C(c1cccc(OCc2cscn2)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is ZDJYCCNPKNOMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-14(16-5-2-6-16)11-3-1-4-13(7-11)18-8-12-9-19-10-15-12/h1,3-4,7,9-10H,2,5-6,8H2.
What are the key properties of azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 274.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 134041483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).