5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

C22H15N3OS2 — CID 162395028

IUPAC5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESC(=N\Nc1ncc(-c2cc3cc(-c4ccccc4)ccc3o2)s1)\c1cccs1
InChIInChI=1S/C22H15N3OS2/c1-2-5-15(6-3-1)16-8-9-19-17(11-16)12-20(26-19)21-14-23-22(28-21)25-24-13-18-7-4-10-27-18/h1-14H,(H,23,25)/b24-13-
InChIKeyIZIOAGSNMCRHHD-CFRMEGHHSA-N
MW401.52 g/mol
LogP6.73
Rot. Bonds5

About 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 162395028) has the molecular formula C22H15N3OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID162395028
Molecular FormulaC22H15N3OS2
Molecular Weight401.52 g/mol
Exact Mass401.07
IUPAC Name5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESC(=N\Nc1ncc(-c2cc3cc(-c4ccccc4)ccc3o2)s1)\c1cccs1
InChIInChI=1S/C22H15N3OS2/c1-2-5-15(6-3-1)16-8-9-19-17(11-16)12-20(26-19)21-14-23-22(28-21)25-24-13-18-7-4-10-27-18/h1-14H,(H,23,25)/b24-13-
InChIKeyIZIOAGSNMCRHHD-CFRMEGHHSA-N
XLogP6.73
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.52
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 162395028) is 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is C(=N\Nc1ncc(-c2cc3cc(-c4ccccc4)ccc3o2)s1)\c1cccs1.
What is the InChIKey of 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is IZIOAGSNMCRHHD-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H15N3OS2/c1-2-5-15(6-3-1)16-8-9-19-17(11-16)12-20(26-19)21-14-23-22(28-21)25-24-13-18-7-4-10-27-18/h1-14H,(H,23,25)/b24-13-.
What are the key properties of 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 401.52 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 162395028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).