2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine

C15H14N2S2 — CID 10636982

IUPAC2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine
SMILESNc1ccsc1C(c1ccccc1)c1sccc1N
InChIInChI=1S/C15H14N2S2/c16-11-6-8-18-14(11)13(10-4-2-1-3-5-10)15-12(17)7-9-19-15/h1-9,13H,16-17H2
InChIKeyLVGUDWHBJAKTLG-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.15
Rot. Bonds3

About 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine

2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine (PubChem CID 10636982) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine
PubChem CID10636982
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine
SMILESNc1ccsc1C(c1ccccc1)c1sccc1N
InChIInChI=1S/C15H14N2S2/c16-11-6-8-18-14(11)13(10-4-2-1-3-5-10)15-12(17)7-9-19-15/h1-9,13H,16-17H2
InChIKeyLVGUDWHBJAKTLG-UHFFFAOYSA-N
XLogP4.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Thiophen-2-yl)aniline
CID 1072474
4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
CID 53330119
3-(Thiophen-2-yl)aniline
CID 2794681
4-(Thiophen-3-yl)aniline
CID 4130336
1-Benzothiophen-3-amine
CID 11194423
4-Phenyl-5-(trifluoromethyl)thiophen-3-amine
CID 2782905
2-(Thiophen-2-yl)aniline
CID 4116097
3-(Thiophen-3-yl)aniline
CID 4130337
Benzo[b]thiophen-3-amine hydrochloride
CID 12293663
4-Phenylthiophen-3-amine hydrochloride
CID 119031786
2-Phenylthiophen-3-amine hydrochloride
CID 154853259
Aminobithienyl
CID 12765253

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine?
The IUPAC name of 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine (CID 10636982) is 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine is Nc1ccsc1C(c1ccccc1)c1sccc1N.
What is the InChIKey of 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine?
The InChIKey is LVGUDWHBJAKTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c16-11-6-8-18-14(11)13(10-4-2-1-3-5-10)15-12(17)7-9-19-15/h1-9,13H,16-17H2.
What are the key properties of 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine?
2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine has a molecular weight of 286.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminothiophen-2-yl)-phenylmethyl]thiophen-3-amine is sourced from PubChem (CID 10636982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).