1-cyclohexyl-2-(thiadiazol-4-yl)ethanone

C10H14N2OS — CID 130550273

IUPAC1-cyclohexyl-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)C1CCCCC1
InChIInChI=1S/C10H14N2OS/c13-10(6-9-7-14-12-11-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyMLTIVWXGLABVMX-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.23
Rot. Bonds3

About 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone

1-cyclohexyl-2-(thiadiazol-4-yl)ethanone (PubChem CID 130550273) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(thiadiazol-4-yl)ethanone
PubChem CID130550273
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-cyclohexyl-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)C1CCCCC1
InChIInChI=1S/C10H14N2OS/c13-10(6-9-7-14-12-11-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyMLTIVWXGLABVMX-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone (CID 130550273) is 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone is O=C(Cc1csnn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone?
The InChIKey is MLTIVWXGLABVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-10(6-9-7-14-12-11-9)8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone?
1-cyclohexyl-2-(thiadiazol-4-yl)ethanone has a molecular weight of 210.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 130550273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).