3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile

C12H9N3OS — CID 116967076

IUPAC3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile
SMILESN#CC1(c2nc(-c3ccccn3)cs2)COC1
InChIInChI=1S/C12H9N3OS/c13-6-12(7-16-8-12)11-15-10(5-17-11)9-3-1-2-4-14-9/h1-5H,7-8H2
InChIKeyCGODJTVZBWHVFL-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.00
Rot. Bonds2

About 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile

3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile (PubChem CID 116967076) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile
PubChem CID116967076
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile
SMILESN#CC1(c2nc(-c3ccccn3)cs2)COC1
InChIInChI=1S/C12H9N3OS/c13-6-12(7-16-8-12)11-15-10(5-17-11)9-3-1-2-4-14-9/h1-5H,7-8H2
InChIKeyCGODJTVZBWHVFL-UHFFFAOYSA-N
XLogP2.00
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile?
The IUPAC name of 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile (CID 116967076) is 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile is N#CC1(c2nc(-c3ccccn3)cs2)COC1.
What is the InChIKey of 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile?
The InChIKey is CGODJTVZBWHVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-6-12(7-16-8-12)11-15-10(5-17-11)9-3-1-2-4-14-9/h1-5H,7-8H2.
What are the key properties of 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile?
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile has a molecular weight of 243.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxetane-3-carbonitrile is sourced from PubChem (CID 116967076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).