N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 65273869

IUPACN-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOC2CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-10-13-11(16-14-10)12-7-8-15-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyIDKRHWIZVMJIOM-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.47
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65273869) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65273869
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOC2CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-10-13-11(16-14-10)12-7-8-15-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyIDKRHWIZVMJIOM-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 125535739
3-methyl-N-[3-(oxan-4-yloxy)propyl]-1,2,4-thiadiazol-5-amine
CID 136528519
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103081617
N-(2-cyclopentyloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304958
N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305079
N-(2-ethoxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305143
1-[5-[[(2R)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132705
1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132706
1-[5-(Oxolan-2-ylmethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713657
3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65267466
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65273869) is N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCOC2CCCC2)n1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IDKRHWIZVMJIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-10-13-11(16-14-10)12-7-8-15-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).