N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

C14H13BrN2S2 — CID 81143315

IUPACN-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1sccc1Br
InChIInChI=1S/C14H13BrN2S2/c1-2-16-13(14-10(15)3-5-19-14)9-7-12-11(17-8-9)4-6-18-12/h3-8,13,16H,2H2,1H3
InChIKeyOXDXWHYETIYSJJ-UHFFFAOYSA-N
MW353.31 g/mol
LogP4.82
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (PubChem CID 81143315) has the molecular formula C14H13BrN2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
PubChem CID81143315
Molecular FormulaC14H13BrN2S2
Molecular Weight353.31 g/mol
Exact Mass351.97
IUPAC NameN-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1sccc1Br
InChIInChI=1S/C14H13BrN2S2/c1-2-16-13(14-10(15)3-5-19-14)9-7-12-11(17-8-9)4-6-18-12/h3-8,13,16H,2H2,1H3
InChIKeyOXDXWHYETIYSJJ-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81144068
N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81153511
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
3-[ethylamino(thieno[3,2-b]pyridin-6-yl)methyl]pyridin-4-amine
CID 81143213
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(3-bromothiophen-2-yl)-(4-iodophenyl)methyl]ethanamine
CID 80535832
N-[cycloheptyl(thieno[3,2-b]pyridin-6-yl)methyl]ethanamine
CID 82931928
N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 114659039
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
N-ethyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143217

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (CID 81143315) is N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is CCNC(c1cnc2ccsc2c1)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The InChIKey is OXDXWHYETIYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2S2/c1-2-16-13(14-10(15)3-5-19-14)9-7-12-11(17-8-9)4-6-18-12/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine has a molecular weight of 353.31 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is sourced from PubChem (CID 81143315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).