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

C15H12Cl2N2S — CID 65467399

IUPAC2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1cnc2ccsc2c1
InChIInChI=1S/C15H12Cl2N2S/c1-9(19-15-11(16)3-2-4-12(15)17)10-7-14-13(18-8-10)5-6-20-14/h2-9,19H,1H3
InChIKeyAKRSNSYPSMTOHC-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.78
Rot. Bonds3

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

2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 65467399) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID65467399
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC Name2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1cnc2ccsc2c1
InChIInChI=1S/C15H12Cl2N2S/c1-9(19-15-11(16)3-2-4-12(15)17)10-7-14-13(18-8-10)5-6-20-14/h2-9,19H,1H3
InChIKeyAKRSNSYPSMTOHC-UHFFFAOYSA-N
XLogP5.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-thieno[3,2-b]pyridin-6-ylethylamino)phenol
CID 64830345
4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467163
3-chloro-4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzonitrile
CID 107807233
2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829352
2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64829776
4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid
CID 64828980
5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829156
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830727
4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64828842
2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830748
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 65467399) is 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is CC(Nc1c(Cl)cccc1Cl)c1cnc2ccsc2c1.
What is the InChIKey of 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is AKRSNSYPSMTOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-9(19-15-11(16)3-2-4-12(15)17)10-7-14-13(18-8-10)5-6-20-14/h2-9,19H,1H3.
What are the key properties of 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 323.25 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 65467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).