4-(azocan-1-ylmethyl)-5-chlorothiadiazole

C10H16ClN3S — CID 43408644

IUPAC4-(azocan-1-ylmethyl)-5-chlorothiadiazole
SMILESClc1snnc1CN1CCCCCCC1
InChIInChI=1S/C10H16ClN3S/c11-10-9(12-13-15-10)8-14-6-4-2-1-3-5-7-14/h1-8H2
InChIKeyKRUJJZUQOQVBRF-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.96
Rot. Bonds2

About 4-(azocan-1-ylmethyl)-5-chlorothiadiazole

4-(azocan-1-ylmethyl)-5-chlorothiadiazole (PubChem CID 43408644) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-(azocan-1-ylmethyl)-5-chlorothiadiazole.

Molecular Properties

Compound Name4-(azocan-1-ylmethyl)-5-chlorothiadiazole
PubChem CID43408644
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-(azocan-1-ylmethyl)-5-chlorothiadiazole
SMILESClc1snnc1CN1CCCCCCC1
InChIInChI=1S/C10H16ClN3S/c11-10-9(12-13-15-10)8-14-6-4-2-1-3-5-7-14/h1-8H2
InChIKeyKRUJJZUQOQVBRF-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcycloheptanamine
CID 43409288
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
4-(Azepan-1-ylmethyl)-5-chlorothiadiazole
CID 43408454
N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43408457
5-Chloro-4-[(2-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43408476
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 43408478
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylbutan-1-amine
CID 43408559
N-butyl-N-[(5-chlorothiadiazol-4-yl)methyl]butan-1-amine
CID 43408568
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine
CID 43408586
5-Chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole
CID 43408643

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-ylmethyl)-5-chlorothiadiazole?
The IUPAC name of 4-(azocan-1-ylmethyl)-5-chlorothiadiazole (CID 43408644) is 4-(azocan-1-ylmethyl)-5-chlorothiadiazole.
What is the SMILES notation for 4-(azocan-1-ylmethyl)-5-chlorothiadiazole?
The canonical SMILES for 4-(azocan-1-ylmethyl)-5-chlorothiadiazole is Clc1snnc1CN1CCCCCCC1.
What is the InChIKey of 4-(azocan-1-ylmethyl)-5-chlorothiadiazole?
The InChIKey is KRUJJZUQOQVBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c11-10-9(12-13-15-10)8-14-6-4-2-1-3-5-7-14/h1-8H2.
What are the key properties of 4-(azocan-1-ylmethyl)-5-chlorothiadiazole?
4-(azocan-1-ylmethyl)-5-chlorothiadiazole has a molecular weight of 245.78 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-ylmethyl)-5-chlorothiadiazole is sourced from PubChem (CID 43408644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).