2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine

C11H21N3S — CID 105168462

IUPAC2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
SMILESCCC(CC)C(N)c1snnc1C(C)C
InChIInChI=1S/C11H21N3S/c1-5-8(6-2)9(12)11-10(7(3)4)13-14-15-11/h7-9H,5-6,12H2,1-4H3
InChIKeyOIVYQMKEGFHKPM-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.10
Rot. Bonds5

About 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine

2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine (PubChem CID 105168462) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
PubChem CID105168462
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
SMILESCCC(CC)C(N)c1snnc1C(C)C
InChIInChI=1S/C11H21N3S/c1-5-8(6-2)9(12)11-10(7(3)4)13-14-15-11/h7-9H,5-6,12H2,1-4H3
InChIKeyOIVYQMKEGFHKPM-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105126748
1-(4-propan-2-ylthiadiazol-5-yl)prop-2-yn-1-amine
CID 105158202
(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154182
5-ethyl-4-propan-2-ylthiadiazole
CID 67890638
2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105082276
2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136962
(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176818
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butan-2-amine
CID 65204269

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine (CID 105168462) is 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine is CCC(CC)C(N)c1snnc1C(C)C.
What is the InChIKey of 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine?
The InChIKey is OIVYQMKEGFHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-8(6-2)9(12)11-10(7(3)4)13-14-15-11/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine?
2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105168462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).