1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine

C13H24N2S — CID 61331826

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-6-8-10(14-7-2)12-15-11(9-16-12)13(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyYBXRARMYFFLWQH-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine (PubChem CID 61331826) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
PubChem CID61331826
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-6-8-10(14-7-2)12-15-11(9-16-12)13(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyYBXRARMYFFLWQH-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine (CID 61331826) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
The InChIKey is YBXRARMYFFLWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-8-10(14-7-2)12-15-11(9-16-12)13(3,4)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 61331826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).