2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

C10H10N2OS — CID 130544357

IUPAC2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1(c2nccs2)CC2CCC1O2
InChIInChI=1S/C10H10N2OS/c11-6-10(9-12-3-4-14-9)5-7-1-2-8(10)13-7/h3-4,7-8H,1-2,5H2
InChIKeyHFHBEXFVBGWFGF-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.86
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 130544357) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID130544357
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1(c2nccs2)CC2CCC1O2
InChIInChI=1S/C10H10N2OS/c11-6-10(9-12-3-4-14-9)5-7-1-2-8(10)13-7/h3-4,7-8H,1-2,5H2
InChIKeyHFHBEXFVBGWFGF-UHFFFAOYSA-N
XLogP1.86
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-Thiazol-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 80320928
2-(1,3-Thiazol-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 80321261
3-(1,3-Thiazol-2-ylmethyl)oxane-3-carbonitrile
CID 103748054
2-[Hydroxy(1,3-thiazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 104078879
2-(7-Oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole
CID 104468772

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (CID 130544357) is 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is N#CC1(c2nccs2)CC2CCC1O2.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is HFHBEXFVBGWFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-6-10(9-12-3-4-14-9)5-7-1-2-8(10)13-7/h3-4,7-8H,1-2,5H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 206.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 130544357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).