4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine

C11H19BrN2S — CID 79400389

IUPAC4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
SMILESCCC(CC)CN(CC)c1nc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-4-9(5-2)7-14(6-3)11-13-10(12)8-15-11/h8-9H,4-7H2,1-3H3
InChIKeyGBVIBLKMVTZIJU-UHFFFAOYSA-N
MW291.26 g/mol
LogP4.17
Rot. Bonds6

About 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine

4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine (PubChem CID 79400389) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
PubChem CID79400389
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC Name4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
SMILESCCC(CC)CN(CC)c1nc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-4-9(5-2)7-14(6-3)11-13-10(12)8-15-11/h8-9H,4-7H2,1-3H3
InChIKeyGBVIBLKMVTZIJU-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine (CID 79400389) is 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine is CCC(CC)CN(CC)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
The InChIKey is GBVIBLKMVTZIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-4-9(5-2)7-14(6-3)11-13-10(12)8-15-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine has a molecular weight of 291.26 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).