[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C16H17FN4O2S — CID 133110177

IUPAC[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C16H17FN4O2S/c17-11-3-1-10(2-4-11)13-7-14(20-19-13)15(22)21-8-12(9-21)23-16-18-5-6-24-16/h1-6,12-14,19-20H,7-9H2
InChIKeyVOPCZCYQAGHACE-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.48
Rot. Bonds4

About [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 133110177) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID133110177
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C16H17FN4O2S/c17-11-3-1-10(2-4-11)13-7-14(20-19-13)15(22)21-8-12(9-21)23-16-18-5-6-24-16/h1-6,12-14,19-20H,7-9H2
InChIKeyVOPCZCYQAGHACE-UHFFFAOYSA-N
XLogP1.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 73168830
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627581
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627456
(6-methyl-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154781940
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281167
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]methanone
CID 134067059
(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627664
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627573
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 75120083
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 90627494

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 133110177) is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is O=C(C1CC(c2ccc(F)cc2)NN1)N1CC(Oc2nccs2)C1.
What is the InChIKey of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is VOPCZCYQAGHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c17-11-3-1-10(2-4-11)13-7-14(20-19-13)15(22)21-8-12(9-21)23-16-18-5-6-24-16/h1-6,12-14,19-20H,7-9H2.
What are the key properties of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 348.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 133110177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).