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

C10H15BrN2S — CID 115890167

IUPAC(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1ncc(Br)s1
InChIInChI=1S/C10H15BrN2S/c1-3-4-5-6-12-8(2)10-13-7-9(11)14-10/h3-4,7-8,12H,5-6H2,1-2H3/b4-3+
InChIKeySSQCGZQTJJJSOO-ONEGZZNKSA-N
MW275.21 g/mol
LogP3.52
Rot. Bonds5

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

(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine (PubChem CID 115890167) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
PubChem CID115890167
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1ncc(Br)s1
InChIInChI=1S/C10H15BrN2S/c1-3-4-5-6-12-8(2)10-13-7-9(11)14-10/h3-4,7-8,12H,5-6H2,1-2H3/b4-3+
InChIKeySSQCGZQTJJJSOO-ONEGZZNKSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115769867
3-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 115769910
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-ethoxybutan-1-amine
CID 115769832
1-(5-bromo-1,3-thiazol-2-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115891542
1-[[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115769999
1-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 115769968
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115770002
(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
CID 115890198
2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
CID 115920296
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline
CID 115921611
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine
CID 115890113

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine (CID 115890167) is (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine is C/C=C/CCNC(C)c1ncc(Br)s1.
What is the InChIKey of (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine?
The InChIKey is SSQCGZQTJJJSOO-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-3-4-5-6-12-8(2)10-13-7-9(11)14-10/h3-4,7-8,12H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine?
(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine has a molecular weight of 275.21 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine is sourced from PubChem (CID 115890167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).