N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine

C11H13BrN2S2 — CID 115879121

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1cscn1
InChIInChI=1S/C11H13BrN2S2/c1-8(10-6-15-7-14-10)13-5-4-9-2-3-11(12)16-9/h2-3,6-8,13H,4-5H2,1H3
InChIKeySQKLPNNYZWJDAM-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115879121) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115879121
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1cscn1
InChIInChI=1S/C11H13BrN2S2/c1-8(10-6-15-7-14-10)13-5-4-9-2-3-11(12)16-9/h2-3,6-8,13H,4-5H2,1H3
InChIKeySQKLPNNYZWJDAM-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879163
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 115712475
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106043570
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
CID 104581933
N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879113
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917395

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115879121) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NCCc1ccc(Br)s1)c1cscn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is SQKLPNNYZWJDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-8(10-6-15-7-14-10)13-5-4-9-2-3-11(12)16-9/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 317.28 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115879121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).