2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde

C11H16N2OS — CID 130941468

IUPAC2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde
SMILESCC1CCCCC1(C=O)Cc1cnsn1
InChIInChI=1S/C11H16N2OS/c1-9-4-2-3-5-11(9,8-14)6-10-7-12-15-13-10/h7-9H,2-6H2,1H3
InChIKeySEPYUINXGKVCBQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde

2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde (PubChem CID 130941468) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde
PubChem CID130941468
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde
SMILESCC1CCCCC1(C=O)Cc1cnsn1
InChIInChI=1S/C11H16N2OS/c1-9-4-2-3-5-11(9,8-14)6-10-7-12-15-13-10/h7-9H,2-6H2,1H3
InChIKeySEPYUINXGKVCBQ-UHFFFAOYSA-N
XLogP2.48
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde 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

1-[(E)-3-chloroprop-2-enyl]-2-methylcyclohexane-1-carbaldehyde
CID 131237182
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
CID 113283690
trans-(1S,2S)-2-methyl-1-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 130753828
3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole
CID 130871474
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342
3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole
CID 130927635
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965
1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
CID 131219612
3-[[2-(bromomethyl)oxan-2-yl]methyl]-1,2,5-thiadiazole
CID 130815308
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
CID 130942600
2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde (CID 130941468) is 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde is CC1CCCCC1(C=O)Cc1cnsn1.
What is the InChIKey of 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde?
The InChIKey is SEPYUINXGKVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-4-2-3-5-11(9,8-14)6-10-7-12-15-13-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde?
2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde has a molecular weight of 224.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,5-thiadiazol-3-ylmethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 130941468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).