5-(3-aminothiophen-2-yl)benzene-1,3-diamine

C10H11N3S — CID 154128750

IUPAC5-(3-aminothiophen-2-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2sccc2N)c1
InChIInChI=1S/C10H11N3S/c11-7-3-6(4-8(12)5-7)10-9(13)1-2-14-10/h1-5H,11-13H2
InChIKeyFJWRJLKEXUYBBV-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.16
Rot. Bonds1

About 5-(3-aminothiophen-2-yl)benzene-1,3-diamine

5-(3-aminothiophen-2-yl)benzene-1,3-diamine (PubChem CID 154128750) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-(3-aminothiophen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(3-aminothiophen-2-yl)benzene-1,3-diamine
PubChem CID154128750
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-(3-aminothiophen-2-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2sccc2N)c1
InChIInChI=1S/C10H11N3S/c11-7-3-6(4-8(12)5-7)10-9(13)1-2-14-10/h1-5H,11-13H2
InChIKeyFJWRJLKEXUYBBV-UHFFFAOYSA-N
XLogP2.16
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminothiophen-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-(3-aminothiophen-2-yl)benzene-1,3-diamine (CID 154128750) is 5-(3-aminothiophen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(3-aminothiophen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(3-aminothiophen-2-yl)benzene-1,3-diamine is Nc1cc(N)cc(-c2sccc2N)c1.
What is the InChIKey of 5-(3-aminothiophen-2-yl)benzene-1,3-diamine?
The InChIKey is FJWRJLKEXUYBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-7-3-6(4-8(12)5-7)10-9(13)1-2-14-10/h1-5H,11-13H2.
What are the key properties of 5-(3-aminothiophen-2-yl)benzene-1,3-diamine?
5-(3-aminothiophen-2-yl)benzene-1,3-diamine has a molecular weight of 205.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminothiophen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 154128750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).