(3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine

C12H9BrN2OS — CID 81143868

IUPAC(3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESNC(c1cnc2ccsc2c1)c1occc1Br
InChIInChI=1S/C12H9BrN2OS/c13-8-1-3-16-12(8)11(14)7-5-10-9(15-6-7)2-4-17-10/h1-6,11H,14H2
InChIKeyFWOMBYFVWXHBDH-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.70
Rot. Bonds2

About (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine

(3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81143868) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81143868
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name(3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESNC(c1cnc2ccsc2c1)c1occc1Br
InChIInChI=1S/C12H9BrN2OS/c13-8-1-3-16-12(8)11(14)7-5-10-9(15-6-7)2-4-17-10/h1-6,11H,14H2
InChIKeyFWOMBYFVWXHBDH-UHFFFAOYSA-N
XLogP3.70
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-thieno[3,2-b]pyridin-6-ylbut-2-en-1-amine
CID 81143014
2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144040
(4-methyl-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144332
3-[amino(thieno[3,2-b]pyridin-6-yl)methyl]pyridin-4-amine
CID 81143770
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
1-(4-bromothiophen-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143794
1-thieno[3,2-b]pyridin-6-ylethanol
CID 64830910
(3-bromofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115861576
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanamine
CID 81144141
[2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]hydrazine
CID 105256508
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81144341

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81143868) is (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine is NC(c1cnc2ccsc2c1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is FWOMBYFVWXHBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS/c13-8-1-3-16-12(8)11(14)7-5-10-9(15-6-7)2-4-17-10/h1-6,11H,14H2.
What are the key properties of (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine?
(3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 309.19 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81143868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).