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

C10H14N2O2S — CID 130550349

IUPAC1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)C1(O)CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-9(6-8-7-15-12-11-8)10(14)4-2-1-3-5-10/h7,14H,1-6H2
InChIKeyWHRMIZQPWTVYGC-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.34
Rot. Bonds3

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

1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone (PubChem CID 130550349) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone
PubChem CID130550349
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)C1(O)CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-9(6-8-7-15-12-11-8)10(14)4-2-1-3-5-10/h7,14H,1-6H2
InChIKeyWHRMIZQPWTVYGC-UHFFFAOYSA-N
XLogP1.34
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-4-(thiadiazol-4-ylmethyl)cyclohexan-1-one
CID 130550193
1-Cyclohexyl-2-(thiadiazol-4-yl)ethanone
CID 130550273
1-(2-Methyloxan-2-yl)-2-(thiadiazol-4-yl)ethanone
CID 130550325
3-Hydroxy-3-methyl-1-(thiadiazol-4-yl)butan-2-one
CID 130550346

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone?
The IUPAC name of 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone (CID 130550349) is 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone is O=C(Cc1csnn1)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone?
The InChIKey is WHRMIZQPWTVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-9(6-8-7-15-12-11-8)10(14)4-2-1-3-5-10/h7,14H,1-6H2.
What are the key properties of 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone?
1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone has a molecular weight of 226.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)-2-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 130550349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).