1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

C17H19NS2 — CID 65473767

IUPAC1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2ccc3sccc3c2)s1)C(C)C
InChIInChI=1S/C17H19NS2/c1-11(2)17(18-3)16-7-6-15(20-16)12-4-5-14-13(10-12)8-9-19-14/h4-11,17-18H,1-3H3
InChIKeyOJVTZYAITISMLU-UHFFFAOYSA-N
MW301.48 g/mol
LogP5.55
Rot. Bonds4

About 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (PubChem CID 65473767) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
PubChem CID65473767
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC Name1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2ccc3sccc3c2)s1)C(C)C
InChIInChI=1S/C17H19NS2/c1-11(2)17(18-3)16-7-6-15(20-16)12-4-5-14-13(10-12)8-9-19-14/h4-11,17-18H,1-3H3
InChIKeyOJVTZYAITISMLU-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (CID 65473767) is 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccc(-c2ccc3sccc3c2)s1)C(C)C.
What is the InChIKey of 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is OJVTZYAITISMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS2/c1-11(2)17(18-3)16-7-6-15(20-16)12-4-5-14-13(10-12)8-9-19-14/h4-11,17-18H,1-3H3.
What are the key properties of 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzothiophen-5-yl)thiophen-2-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 65473767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).