4-[(2-chlorocycloheptyl)methyl]thiadiazole

C10H15ClN2S — CID 130549782

IUPAC4-[(2-chlorocycloheptyl)methyl]thiadiazole
SMILESClC1CCCCCC1Cc1csnn1
InChIInChI=1S/C10H15ClN2S/c11-10-5-3-1-2-4-8(10)6-9-7-14-13-12-9/h7-8,10H,1-6H2
InChIKeyVTNACMVCUTWVIT-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.27
Rot. Bonds2

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

4-[(2-chlorocycloheptyl)methyl]thiadiazole (PubChem CID 130549782) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-[(2-chlorocycloheptyl)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(2-chlorocycloheptyl)methyl]thiadiazole
PubChem CID130549782
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-[(2-chlorocycloheptyl)methyl]thiadiazole
SMILESClC1CCCCCC1Cc1csnn1
InChIInChI=1S/C10H15ClN2S/c11-10-5-3-1-2-4-8(10)6-9-7-14-13-12-9/h7-8,10H,1-6H2
InChIKeyVTNACMVCUTWVIT-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-(2-Methyloctyl)thiadiazole
CID 166754088
4-(1-Chloropentan-3-yl)thiadiazole
CID 174275082
4-(2-Chlorocyclohexyl)thiadiazole
CID 129988239
4-[(2-Chlorocyclohexyl)methyl]thiadiazole
CID 130549780
4-[(2-Chloro-5-methylcyclohexyl)methyl]thiadiazole
CID 130549783
4-(4-Chlorobutyl)thiadiazole
CID 130549997
4-[(3-Chlorocycloheptyl)methyl]thiadiazole
CID 130550001
4-[(3-Bromocycloheptyl)methyl]thiadiazole
CID 130550006
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorocycloheptyl)methyl]thiadiazole?
The IUPAC name of 4-[(2-chlorocycloheptyl)methyl]thiadiazole (CID 130549782) is 4-[(2-chlorocycloheptyl)methyl]thiadiazole.
What is the SMILES notation for 4-[(2-chlorocycloheptyl)methyl]thiadiazole?
The canonical SMILES for 4-[(2-chlorocycloheptyl)methyl]thiadiazole is ClC1CCCCCC1Cc1csnn1.
What is the InChIKey of 4-[(2-chlorocycloheptyl)methyl]thiadiazole?
The InChIKey is VTNACMVCUTWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c11-10-5-3-1-2-4-8(10)6-9-7-14-13-12-9/h7-8,10H,1-6H2.
What are the key properties of 4-[(2-chlorocycloheptyl)methyl]thiadiazole?
4-[(2-chlorocycloheptyl)methyl]thiadiazole has a molecular weight of 230.76 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorocycloheptyl)methyl]thiadiazole is sourced from PubChem (CID 130549782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).