2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine

C14H13N3OS — CID 65475431

IUPAC2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc3sccc3c2)ccc1N
InChIInChI=1S/C14H13N3OS/c1-18-14-11(15)3-5-13(17-14)16-10-2-4-12-9(8-10)6-7-19-12/h2-8H,15H2,1H3,(H,16,17)
InChIKeyRODLDQJEJFCVRF-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.63
Rot. Bonds3

About 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine

2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine (PubChem CID 65475431) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
PubChem CID65475431
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc3sccc3c2)ccc1N
InChIInChI=1S/C14H13N3OS/c1-18-14-11(15)3-5-13(17-14)16-10-2-4-12-9(8-10)6-7-19-12/h2-8H,15H2,1H3,(H,16,17)
InChIKeyRODLDQJEJFCVRF-UHFFFAOYSA-N
XLogP3.63
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 65475242
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-2,5-diamine
CID 43261454
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673
2-N-(3,5-dimethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261435
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675
1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259351
2-N-(4-ethylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261633
2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
CID 65475625
N-(1-benzothiophen-5-yl)-2-chloropyrimidin-4-amine
CID 65453391
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine (CID 65475431) is 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine is COc1nc(Nc2ccc3sccc3c2)ccc1N.
What is the InChIKey of 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine?
The InChIKey is RODLDQJEJFCVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-14-11(15)3-5-13(17-14)16-10-2-4-12-9(8-10)6-7-19-12/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine?
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine has a molecular weight of 271.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 65475431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).