2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

C12H21N3S — CID 105138957

IUPAC2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(CC1CCCC1)c1snnc1C
InChIInChI=1S/C12H21N3S/c1-3-13-11(8-10-6-4-5-7-10)12-9(2)14-15-16-12/h10-11,13H,3-8H2,1-2H3
InChIKeyNOJBXFRCRSZJSU-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.08
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105138957) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105138957
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(CC1CCCC1)c1snnc1C
InChIInChI=1S/C12H21N3S/c1-3-13-11(8-10-6-4-5-7-10)12-9(2)14-15-16-12/h10-11,13H,3-8H2,1-2H3
InChIKeyNOJBXFRCRSZJSU-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyclopropyl-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105310989
N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153417
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
CID 114457699
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
N-ethyl-1-(4-methylthiadiazol-5-yl)prop-2-en-1-amine
CID 105161188
[2-cyclopentyl-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105299179
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclopentyl-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105080910
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105138957) is 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is CCNC(CC1CCCC1)c1snnc1C.
What is the InChIKey of 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is NOJBXFRCRSZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-13-11(8-10-6-4-5-7-10)12-9(2)14-15-16-12/h10-11,13H,3-8H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105138957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).