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

C11H19N3S — CID 107185487

IUPAC2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC1(C)CCCC1c1nnc(CCN)s1
InChIInChI=1S/C11H19N3S/c1-11(2)6-3-4-8(11)10-14-13-9(15-10)5-7-12/h8H,3-7,12H2,1-2H3
InChIKeyNJANFUQDWPICPS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.33
Rot. Bonds3

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

2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 107185487) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID107185487
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC1(C)CCCC1c1nnc(CCN)s1
InChIInChI=1S/C11H19N3S/c1-11(2)6-3-4-8(11)10-14-13-9(15-10)5-7-12/h8H,3-7,12H2,1-2H3
InChIKeyNJANFUQDWPICPS-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 65716679
N-[2-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65716941
2-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 65717452
2-[5-(2-cyclopentylethyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 65717811
N-methyl-2-[5-(2,3,3-trimethylbutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65718017
2-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-N-methylethanamine
CID 65718209
2-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 65718421
2-[5-(Cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65725606
3-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 65725643
2-(5-Cyclooctyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 65725799
2-[5-(2,3,3-Trimethylbutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65725806
[5-(4-Tert-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725954

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 107185487) is 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine is CC1(C)CCCC1c1nnc(CCN)s1.
What is the InChIKey of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is NJANFUQDWPICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2)6-3-4-8(11)10-14-13-9(15-10)5-7-12/h8H,3-7,12H2,1-2H3.
What are the key properties of 2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.33, 3 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]ethanamine is sourced from PubChem (CID 107185487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).