4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole

C10H15ClN2S — CID 130549783

IUPAC4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole
SMILESCC1CCC(Cl)C(Cc2csnn2)C1
InChIInChI=1S/C10H15ClN2S/c1-7-2-3-10(11)8(4-7)5-9-6-14-13-12-9/h6-8,10H,2-5H2,1H3
InChIKeyKTOUAPZRGASRNC-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.12
Rot. Bonds2

About 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole

4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole (PubChem CID 130549783) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole
PubChem CID130549783
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole
SMILESCC1CCC(Cl)C(Cc2csnn2)C1
InChIInChI=1S/C10H15ClN2S/c1-7-2-3-10(11)8(4-7)5-9-6-14-13-12-9/h6-8,10H,2-5H2,1H3
InChIKeyKTOUAPZRGASRNC-UHFFFAOYSA-N
XLogP3.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.12
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-(4-Propan-2-ylcyclohexyl)thiadiazole
CID 145847303
4-(1-Chloropentan-3-yl)thiadiazole
CID 174275082
4-(2-Chlorocyclohexyl)thiadiazole
CID 129988239
4-[(2-Chlorocyclohexyl)methyl]thiadiazole
CID 130549780
4-[(2-Chlorocycloheptyl)methyl]thiadiazole
CID 130549782
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-{[1-(Chloromethyl)cyclobutyl]methyl}-1,2,3-thiadiazole
CID 130550088
4-(3-Chloro-2-methylpropyl)-1,2,3-thiadiazole
CID 130550092

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole?
The IUPAC name of 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole (CID 130549783) is 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole.
What is the SMILES notation for 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole?
The canonical SMILES for 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole is CC1CCC(Cl)C(Cc2csnn2)C1.
What is the InChIKey of 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole?
The InChIKey is KTOUAPZRGASRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-7-2-3-10(11)8(4-7)5-9-6-14-13-12-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole?
4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole has a molecular weight of 230.76 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methylcyclohexyl)methyl]thiadiazole is sourced from PubChem (CID 130549783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).