N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine

C11H17BrN2S — CID 115770002

IUPACN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NC(C)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-7(5-9-3-4-9)14-8(2)11-13-6-10(12)15-11/h6-9,14H,3-5H2,1-2H3
InChIKeyVCARCHKWSOLIND-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine

N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine (PubChem CID 115770002) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
PubChem CID115770002
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NC(C)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-7(5-9-3-4-9)14-8(2)11-13-6-10(12)15-11/h6-9,14H,3-5H2,1-2H3
InChIKeyVCARCHKWSOLIND-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
N-(1-cyclopropylpropan-2-yl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115722264
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 114985854
[2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]cyclopentyl]methanol
CID 115770062
(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
CID 115890167
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115769867
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 103903010
1-cyclopropyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83119407
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-ethoxybutan-1-amine
CID 115769832
1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115769999
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine (CID 115770002) is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)NC(C)c1ncc(Br)s1.
What is the InChIKey of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
The InChIKey is VCARCHKWSOLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-7(5-9-3-4-9)14-8(2)11-13-6-10(12)15-11/h6-9,14H,3-5H2,1-2H3.
What are the key properties of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine?
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine has a molecular weight of 289.24 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 115770002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).