2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol

C15H11NOS2 — CID 779639

IUPAC2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccc(-c2cccs2)s1
InChIInChI=1S/C15H11NOS2/c17-13-5-2-1-4-12(13)16-10-11-7-8-15(19-11)14-6-3-9-18-14/h1-10,17H/b16-10+
InChIKeyKCZVKHJWEKFMKS-MHWRWJLKSA-N
MW285.39 g/mol
LogP4.93
Rot. Bonds3

About 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol

2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol (PubChem CID 779639) has the molecular formula C15H11NOS2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol.

Molecular Properties

Compound Name2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol
PubChem CID779639
Molecular FormulaC15H11NOS2
Molecular Weight285.39 g/mol
Exact Mass285.03
IUPAC Name2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccc(-c2cccs2)s1
InChIInChI=1S/C15H11NOS2/c17-13-5-2-1-4-12(13)16-10-11-7-8-15(19-11)14-6-3-9-18-14/h1-10,17H/b16-10+
InChIKeyKCZVKHJWEKFMKS-MHWRWJLKSA-N
XLogP4.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol?
The IUPAC name of 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol (CID 779639) is 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol.
What is the SMILES notation for 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol?
The canonical SMILES for 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol is Oc1ccccc1/N=C/c1ccc(-c2cccs2)s1.
What is the InChIKey of 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol?
The InChIKey is KCZVKHJWEKFMKS-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H11NOS2/c17-13-5-2-1-4-12(13)16-10-11-7-8-15(19-11)14-6-3-9-18-14/h1-10,17H/b16-10+.
What are the key properties of 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol?
2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol is sourced from PubChem (CID 779639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).