2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine

C15H15N3S — CID 115147696

IUPAC2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(NCc2csc3ccccc23)ccc1N
InChIInChI=1S/C15H15N3S/c1-10-13(16)6-7-15(18-10)17-8-11-9-19-14-5-3-2-4-12(11)14/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyZIHYQBYPJDEQSX-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.80
Rot. Bonds3

About 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine

2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine (PubChem CID 115147696) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine
PubChem CID115147696
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(NCc2csc3ccccc23)ccc1N
InChIInChI=1S/C15H15N3S/c1-10-13(16)6-7-15(18-10)17-8-11-9-19-14-5-3-2-4-12(11)14/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyZIHYQBYPJDEQSX-UHFFFAOYSA-N
XLogP3.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine
CID 115147676
1-N-(1-benzothiophen-3-ylmethyl)-4-methylbenzene-1,2-diamine
CID 115125075
N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 60777708
N-(1-benzothiophen-3-ylmethyl)-2,4-dimethylaniline
CID 63418099
3-N-(1-benzothiophen-3-ylmethyl)-3-methylbutane-1,3-diamine
CID 115134773
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
CID 65468569
1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719584
6-methyl-2-N-[(2,3,5,6-tetramethylphenyl)methyl]pyridine-2,5-diamine
CID 115147673
3-amino-4-(1-benzothiophen-3-ylmethylamino)benzonitrile
CID 89379237
N-(1-benzothiophen-3-ylmethyl)-4-iodo-2-methylaniline
CID 63440961
N-(1-benzothiophen-3-ylmethyl)-5-bromo-2-methylaniline
CID 63445567

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine (CID 115147696) is 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine is Cc1nc(NCc2csc3ccccc23)ccc1N.
What is the InChIKey of 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine?
The InChIKey is ZIHYQBYPJDEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-13(16)6-7-15(18-10)17-8-11-9-19-14-5-3-2-4-12(11)14/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine?
2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine has a molecular weight of 269.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-3-ylmethyl)-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 115147696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).