(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C16H18N4O2S — CID 90627664

IUPAC(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(C1CCCN1c1ccccn1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C16H18N4O2S/c21-15(19-10-12(11-19)22-16-18-7-9-23-16)13-4-3-8-20(13)14-5-1-2-6-17-14/h1-2,5-7,9,12-13H,3-4,8,10-11H2
InChIKeyKKCNPZHHBYFIPS-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.80
Rot. Bonds4

About (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 90627664) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID90627664
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(C1CCCN1c1ccccn1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C16H18N4O2S/c21-15(19-10-12(11-19)22-16-18-7-9-23-16)13-4-3-8-20(13)14-5-1-2-6-17-14/h1-2,5-7,9,12-13H,3-4,8,10-11H2
InChIKeyKKCNPZHHBYFIPS-UHFFFAOYSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 90627664) is (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is O=C(C1CCCN1c1ccccn1)N1CC(Oc2nccs2)C1.
What is the InChIKey of (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is KKCNPZHHBYFIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-15(19-10-12(11-19)22-16-18-7-9-23-16)13-4-3-8-20(13)14-5-1-2-6-17-14/h1-2,5-7,9,12-13H,3-4,8,10-11H2.
What are the key properties of (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
(1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-2-ylpyrrolidin-2-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 90627664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).