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

C10H16ClN3S — CID 43408478

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
SMILESCN(Cc1nnsc1Cl)C1CCCCC1
InChIInChI=1S/C10H16ClN3S/c1-14(8-5-3-2-4-6-8)7-9-10(11)15-13-12-9/h8H,2-7H2,1H3
InChIKeyACNNWQHMWZXXDE-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.96
Rot. Bonds3

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

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine (PubChem CID 43408478) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
PubChem CID43408478
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
SMILESCN(Cc1nnsc1Cl)C1CCCCC1
InChIInChI=1S/C10H16ClN3S/c1-14(8-5-3-2-4-6-8)7-9-10(11)15-13-12-9/h8H,2-7H2,1H3
InChIKeyACNNWQHMWZXXDE-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine 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
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 94183920
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
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
5-Chloro-4-[(4-methylpiperazin-1-yl)methyl]thiadiazole
CID 43408455
N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43408457
5-Chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole
CID 43408474
5-Chloro-4-[(2-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43408476

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine (CID 43408478) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine is CN(Cc1nnsc1Cl)C1CCCCC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine?
The InChIKey is ACNNWQHMWZXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-14(8-5-3-2-4-6-8)7-9-10(11)15-13-12-9/h8H,2-7H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine has a molecular weight of 245.78 g/mol, XLogP of 2.96, 3 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-methylcyclohexanamine is sourced from PubChem (CID 43408478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).