1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine

C13H9Cl2NS2 — CID 61406697

IUPAC1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc2ccccc2s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H9Cl2NS2/c14-11-6-8(13(15)18-11)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-6,12H,16H2
InChIKeyQDADUJDGFNCIIG-UHFFFAOYSA-N
MW314.26 g/mol
LogP5.32
Rot. Bonds2

About 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine

1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 61406697) has the molecular formula C13H9Cl2NS2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID61406697
Molecular FormulaC13H9Cl2NS2
Molecular Weight314.26 g/mol
Exact Mass312.96
IUPAC Name1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc2ccccc2s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H9Cl2NS2/c14-11-6-8(13(15)18-11)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-6,12H,16H2
InChIKeyQDADUJDGFNCIIG-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.26
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine (CID 61406697) is 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine is NC(c1cc2ccccc2s1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is QDADUJDGFNCIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NS2/c14-11-6-8(13(15)18-11)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-6,12H,16H2.
What are the key properties of 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine?
1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 314.26 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 61406697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).