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

C16H15BrN2S — CID 64831111

IUPAC4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1cc(Br)ccc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C16H15BrN2S/c1-10-7-13(17)3-4-14(10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3
InChIKeyUXQLDMPKKPLNEJ-UHFFFAOYSA-N
MW347.28 g/mol
LogP5.54
Rot. Bonds3

About 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64831111) has the molecular formula C16H15BrN2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64831111
Molecular FormulaC16H15BrN2S
Molecular Weight347.28 g/mol
Exact Mass346.01
IUPAC Name4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1cc(Br)ccc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C16H15BrN2S/c1-10-7-13(17)3-4-14(10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3
InChIKeyUXQLDMPKKPLNEJ-UHFFFAOYSA-N
XLogP5.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.28
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830748
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64828369
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64828842
2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829176
4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467163
2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829352
3-chloro-4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzonitrile
CID 107807233
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
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylaniline
CID 43758862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64831111) is 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is Cc1cc(Br)ccc1NC(C)c1cnc2ccsc2c1.
What is the InChIKey of 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is UXQLDMPKKPLNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2S/c1-10-7-13(17)3-4-14(10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3.
What are the key properties of 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 347.28 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64831111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).