2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine

C13H23N3S — CID 107185607

IUPAC2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(C2CCCC2(C)C)s1
InChIInChI=1S/C13H23N3S/c1-4-14-9-7-11-15-16-12(17-11)10-6-5-8-13(10,2)3/h10,14H,4-9H2,1-3H3
InChIKeyHYBLOHXWDDTGDF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.98
Rot. Bonds5

About 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine

2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine (PubChem CID 107185607) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
PubChem CID107185607
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(C2CCCC2(C)C)s1
InChIInChI=1S/C13H23N3S/c1-4-14-9-7-11-15-16-12(17-11)10-6-5-8-13(10,2)3/h10,14H,4-9H2,1-3H3
InChIKeyHYBLOHXWDDTGDF-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
2-(2-chloroethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107185456
N-[[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 107185554
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107003568
2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107183813
N-ethyl-2-[5-(3-methyloxan-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114241799
1-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185646
1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185641
1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 107185578
3-[5-(cycloheptylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 114459300
2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 66478416

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine (CID 107185607) is 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine is CCNCCc1nnc(C2CCCC2(C)C)s1.
What is the InChIKey of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The InChIKey is HYBLOHXWDDTGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-14-9-7-11-15-16-12(17-11)10-6-5-8-13(10,2)3/h10,14H,4-9H2,1-3H3.
What are the key properties of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 107185607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).