2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine

C14H13N3S — CID 79175673

IUPAC2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc3sccc3c2)ncc1N
InChIInChI=1S/C14H13N3S/c1-9-6-14(16-8-12(9)15)17-11-2-3-13-10(7-11)4-5-18-13/h2-8H,15H2,1H3,(H,16,17)
InChIKeyFGNMZGNEZFWMAE-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.93
Rot. Bonds2

About 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine

2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine (PubChem CID 79175673) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
PubChem CID79175673
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc3sccc3c2)ncc1N
InChIInChI=1S/C14H13N3S/c1-9-6-14(16-8-12(9)15)17-11-2-3-13-10(7-11)4-5-18-13/h2-8H,15H2,1H3,(H,16,17)
InChIKeyFGNMZGNEZFWMAE-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine (CID 79175673) is 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine is Cc1cc(Nc2ccc3sccc3c2)ncc1N.
What is the InChIKey of 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine?
The InChIKey is FGNMZGNEZFWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-6-14(16-8-12(9)15)17-11-2-3-13-10(7-11)4-5-18-13/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine?
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine has a molecular weight of 255.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79175673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).