2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol

C11H19BrN2OS — CID 115920296

IUPAC2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NC(C)c1ncc(Br)s1
InChIInChI=1S/C11H19BrN2OS/c1-4-11(5-2,7-15)14-8(3)10-13-6-9(12)16-10/h6,8,14-15H,4-5,7H2,1-3H3
InChIKeyLUSGOPMYZMVFJU-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.11
Rot. Bonds6

About 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol

2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol (PubChem CID 115920296) has the molecular formula C11H19BrN2OS and a molecular weight of 307.26 g/mol. Its IUPAC name is 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
PubChem CID115920296
Molecular FormulaC11H19BrN2OS
Molecular Weight307.26 g/mol
Exact Mass306.04
IUPAC Name2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NC(C)c1ncc(Br)s1
InChIInChI=1S/C11H19BrN2OS/c1-4-11(5-2,7-15)14-8(3)10-13-6-9(12)16-10/h6,8,14-15H,4-5,7H2,1-3H3
InChIKeyLUSGOPMYZMVFJU-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115920282
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115769867
[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol
CID 115770062
1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115769999
2-[1-(4-bromophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 113354722
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-ethoxybutan-1-amine
CID 115769832
3-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 115769910
1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 115769968
(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
CID 115890167
(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 103903010
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115770002
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine
CID 115921585

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol (CID 115920296) is 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NC(C)c1ncc(Br)s1.
What is the InChIKey of 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol?
The InChIKey is LUSGOPMYZMVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2OS/c1-4-11(5-2,7-15)14-8(3)10-13-6-9(12)16-10/h6,8,14-15H,4-5,7H2,1-3H3.
What are the key properties of 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol?
2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol has a molecular weight of 307.26 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 115920296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).