5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine

C10H18N4OS — CID 66278347

IUPAC5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCOC2CCCCC2)n1
InChIInChI=1S/C10H18N4OS/c11-9-13-10(16-14-9)12-6-7-15-8-4-2-1-3-5-8/h8H,1-7H2,(H3,11,12,13,14)
InChIKeyVHNXQDNUUUGARV-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.88
Rot. Bonds5

About 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278347) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278347
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCOC2CCCCC2)n1
InChIInChI=1S/C10H18N4OS/c11-9-13-10(16-14-9)12-6-7-15-8-4-2-1-3-5-8/h8H,1-7H2,(H3,11,12,13,14)
InChIKeyVHNXQDNUUUGARV-UHFFFAOYSA-N
XLogP1.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869
N-(2-cyclohexyloxyethyl)-1,3-thiazol-2-amine
CID 61063883
2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine
CID 102768489
5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103361711
N-(2-cyclopentyloxyethyl)-1,3-thiazol-2-amine
CID 60965150
N-[2-(4-aminocyclohexyl)oxyethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65276168
5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 82947352
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
2-N-(2-cyclohexyloxyethyl)pyrazine-2,6-diamine
CID 78988775
5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279228
2-N-(2-cyclopentyloxyethyl)pyrazine-2,6-diamine
CID 78988738
2-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66278140

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66278347) is 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCCOC2CCCCC2)n1.
What is the InChIKey of 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is VHNXQDNUUUGARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c11-9-13-10(16-14-9)12-6-7-15-8-4-2-1-3-5-8/h8H,1-7H2,(H3,11,12,13,14).
What are the key properties of 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 242.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).