2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

C15H12Br2N2S — CID 64830748

IUPAC2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1cnc2ccsc2c1
InChIInChI=1S/C15H12Br2N2S/c1-9(19-14-7-11(16)2-3-12(14)17)10-6-15-13(18-8-10)4-5-20-15/h2-9,19H,1H3
InChIKeyVQSGDZVLPOLYEF-UHFFFAOYSA-N
MW412.15 g/mol
LogP5.99
Rot. Bonds3

About 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64830748) has the molecular formula C15H12Br2N2S and a molecular weight of 412.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64830748
Molecular FormulaC15H12Br2N2S
Molecular Weight412.15 g/mol
Exact Mass409.91
IUPAC Name2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1cnc2ccsc2c1
InChIInChI=1S/C15H12Br2N2S/c1-9(19-14-7-11(16)2-3-12(14)17)10-6-15-13(18-8-10)4-5-20-15/h2-9,19H,1H3
InChIKeyVQSGDZVLPOLYEF-UHFFFAOYSA-N
XLogP5.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.15
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64831111
4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467163
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829352
4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64828842
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64828369
2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829176
2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64829776
4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine
CID 64828589
2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467399
3-chloro-4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzonitrile
CID 107807233
5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829156

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64830748) is 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is CC(Nc1cc(Br)ccc1Br)c1cnc2ccsc2c1.
What is the InChIKey of 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is VQSGDZVLPOLYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2S/c1-9(19-14-7-11(16)2-3-12(14)17)10-6-15-13(18-8-10)4-5-20-15/h2-9,19H,1H3.
What are the key properties of 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 412.15 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64830748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).