2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone

C11H14N2OS — CID 105116844

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(CC1CC2CCC1C2)c1cnsn1
InChIInChI=1S/C11H14N2OS/c14-11(10-6-12-15-13-10)5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2
InChIKeyGIOMVXZMRSNWRV-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (PubChem CID 105116844) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
PubChem CID105116844
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(CC1CC2CCC1C2)c1cnsn1
InChIInChI=1S/C11H14N2OS/c14-11(10-6-12-15-13-10)5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2
InChIKeyGIOMVXZMRSNWRV-UHFFFAOYSA-N
XLogP2.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 79558422
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105116874
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
CID 113398278
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 115784962
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 115784988
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 79558524
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81119392
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789384
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 115812924

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (CID 105116844) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is O=C(CC1CC2CCC1C2)c1cnsn1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The InChIKey is GIOMVXZMRSNWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(10-6-12-15-13-10)5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone has a molecular weight of 222.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 105116844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).