1-(5-phenylthiophen-2-yl)ethane-1,2-diamine

C12H14N2S — CID 170894587

IUPAC1-(5-phenylthiophen-2-yl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H14N2S/c13-8-10(14)12-7-6-11(15-12)9-4-2-1-3-5-9/h1-7,10H,8,13-14H2
InChIKeyATHQPSQRWYBWID-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.37
Rot. Bonds3

About 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine

1-(5-phenylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 170894587) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-phenylthiophen-2-yl)ethane-1,2-diamine
PubChem CID170894587
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(5-phenylthiophen-2-yl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H14N2S/c13-8-10(14)12-7-6-11(15-12)9-4-2-1-3-5-9/h1-7,10H,8,13-14H2
InChIKeyATHQPSQRWYBWID-UHFFFAOYSA-N
XLogP2.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine (CID 170894587) is 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine is NCC(N)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is ATHQPSQRWYBWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-8-10(14)12-7-6-11(15-12)9-4-2-1-3-5-9/h1-7,10H,8,13-14H2.
What are the key properties of 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine?
1-(5-phenylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 218.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 170894587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).