N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine

C15H24ClN3S — CID 43625548

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine
SMILESClc1snnc1CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H24ClN3S/c16-15-14(17-18-20-15)11-19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKeyWVXQTTIXVDHWAA-UHFFFAOYSA-N
MW313.90 g/mol
LogP4.66
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine (PubChem CID 43625548) has the molecular formula C15H24ClN3S and a molecular weight of 313.90 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine
PubChem CID43625548
Molecular FormulaC15H24ClN3S
Molecular Weight313.90 g/mol
Exact Mass313.14
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine
SMILESClc1snnc1CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H24ClN3S/c16-15-14(17-18-20-15)11-19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKeyWVXQTTIXVDHWAA-UHFFFAOYSA-N
XLogP4.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.90
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine 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

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]-4,4-difluoropiperidine
CID 164657131
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
CID 47053953
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-methylbutan-1-amine
CID 43408559
5-Chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
CID 43408566
N-butyl-N-[(5-chlorothiadiazol-4-yl)methyl]butan-1-amine
CID 43408568

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine (CID 43625548) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine is Clc1snnc1CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine?
The InChIKey is WVXQTTIXVDHWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3S/c16-15-14(17-18-20-15)11-19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine has a molecular weight of 313.90 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine is sourced from PubChem (CID 43625548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).