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

C11H18ClN3S — CID 43408586

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nnsc1Cl)C1CCCCC1
InChIInChI=1S/C11H18ClN3S/c1-2-15(9-6-4-3-5-7-9)8-10-11(12)16-14-13-10/h9H,2-8H2,1H3
InChIKeyAVVOTTNHSFKSBP-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.35
Rot. Bonds4

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

N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine (PubChem CID 43408586) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine
PubChem CID43408586
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nnsc1Cl)C1CCCCC1
InChIInChI=1S/C11H18ClN3S/c1-2-15(9-6-4-3-5-7-9)8-10-11(12)16-14-13-10/h9H,2-8H2,1H3
InChIKeyAVVOTTNHSFKSBP-UHFFFAOYSA-N
XLogP3.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.35
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
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-ethylcyclohexanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine (CID 43408586) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine is CCN(Cc1nnsc1Cl)C1CCCCC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine?
The InChIKey is AVVOTTNHSFKSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-2-15(9-6-4-3-5-7-9)8-10-11(12)16-14-13-10/h9H,2-8H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine has a molecular weight of 259.81 g/mol, XLogP of 3.35, 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-ethylcyclohexanamine is sourced from PubChem (CID 43408586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).