4-[(2-chlorocyclohexyl)methyl]thiadiazole

C9H13ClN2S — CID 130549780

IUPAC4-[(2-chlorocyclohexyl)methyl]thiadiazole
SMILESClC1CCCCC1Cc1csnn1
InChIInChI=1S/C9H13ClN2S/c10-9-4-2-1-3-7(9)5-8-6-13-12-11-8/h6-7,9H,1-5H2
InChIKeyLZRQBTMFYFVZKL-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.88
Rot. Bonds2

About 4-[(2-chlorocyclohexyl)methyl]thiadiazole

4-[(2-chlorocyclohexyl)methyl]thiadiazole (PubChem CID 130549780) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 4-[(2-chlorocyclohexyl)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(2-chlorocyclohexyl)methyl]thiadiazole
PubChem CID130549780
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name4-[(2-chlorocyclohexyl)methyl]thiadiazole
SMILESClC1CCCCC1Cc1csnn1
InChIInChI=1S/C9H13ClN2S/c10-9-4-2-1-3-7(9)5-8-6-13-12-11-8/h6-7,9H,1-5H2
InChIKeyLZRQBTMFYFVZKL-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexylthiadiazole
CID 18979673
4-(4-Methylcyclohexyl)thiadiazole
CID 142147637
4-(1-Chloropentan-3-yl)thiadiazole
CID 174275082
4-(2-Chlorocyclohexyl)thiadiazole
CID 129988239
4-[(2-Chlorocycloheptyl)methyl]thiadiazole
CID 130549782
4-[(2-Chloro-5-methylcyclohexyl)methyl]thiadiazole
CID 130549783
4-(4-Chlorobutyl)thiadiazole
CID 130549997
4-[(3-Chlorocycloheptyl)methyl]thiadiazole
CID 130550001
4-[(3-Chloro-2-methylcyclopentyl)methyl]thiadiazole
CID 130550009
4-[(3-Chloro-5,5-dimethylcyclohexen-1-yl)methyl]thiadiazole
CID 130550011
4-[(3-Chlorocyclohepten-1-yl)methyl]thiadiazole
CID 130550015
4-{[1-(Chloromethyl)cyclobutyl]methyl}-1,2,3-thiadiazole
CID 130550088

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorocyclohexyl)methyl]thiadiazole?
The IUPAC name of 4-[(2-chlorocyclohexyl)methyl]thiadiazole (CID 130549780) is 4-[(2-chlorocyclohexyl)methyl]thiadiazole.
What is the SMILES notation for 4-[(2-chlorocyclohexyl)methyl]thiadiazole?
The canonical SMILES for 4-[(2-chlorocyclohexyl)methyl]thiadiazole is ClC1CCCCC1Cc1csnn1.
What is the InChIKey of 4-[(2-chlorocyclohexyl)methyl]thiadiazole?
The InChIKey is LZRQBTMFYFVZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c10-9-4-2-1-3-7(9)5-8-6-13-12-11-8/h6-7,9H,1-5H2.
What are the key properties of 4-[(2-chlorocyclohexyl)methyl]thiadiazole?
4-[(2-chlorocyclohexyl)methyl]thiadiazole has a molecular weight of 216.74 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorocyclohexyl)methyl]thiadiazole is sourced from PubChem (CID 130549780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).