2-cyclohexyl-1-(thiadiazol-5-yl)ethanone

C10H14N2OS — CID 105089081

IUPAC2-cyclohexyl-1-(thiadiazol-5-yl)ethanone
SMILESO=C(CC1CCCCC1)c1cnns1
InChIInChI=1S/C10H14N2OS/c13-9(10-7-11-12-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyHNZLQPKIGBCLEY-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.69
Rot. Bonds3

About 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone

2-cyclohexyl-1-(thiadiazol-5-yl)ethanone (PubChem CID 105089081) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(thiadiazol-5-yl)ethanone
PubChem CID105089081
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-cyclohexyl-1-(thiadiazol-5-yl)ethanone
SMILESO=C(CC1CCCCC1)c1cnns1
InChIInChI=1S/C10H14N2OS/c13-9(10-7-11-12-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyHNZLQPKIGBCLEY-UHFFFAOYSA-N
XLogP2.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone (CID 105089081) is 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone is O=C(CC1CCCCC1)c1cnns1.
What is the InChIKey of 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone?
The InChIKey is HNZLQPKIGBCLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-9(10-7-11-12-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone?
2-cyclohexyl-1-(thiadiazol-5-yl)ethanone has a molecular weight of 210.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 105089081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).