N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine

C14H11N3OS — CID 5333452

IUPACN-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1ccco1
InChIInChI=1S/C14H11N3OS/c1-2-5-11(6-3-1)13-10-19-14(16-13)17-15-9-12-7-4-8-18-12/h1-10H,(H,16,17)/b15-9+
InChIKeyOLGQAKIYYSJBGL-OQLLNIDSSA-N
MW269.33 g/mol
LogP3.85
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 5333452) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID5333452
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1ccco1
InChIInChI=1S/C14H11N3OS/c1-2-5-11(6-3-1)13-10-19-14(16-13)17-15-9-12-7-4-8-18-12/h1-10H,(H,16,17)/b15-9+
InChIKeyOLGQAKIYYSJBGL-OQLLNIDSSA-N
XLogP3.85
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'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 N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 5333452) is N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine is C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is OLGQAKIYYSJBGL-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-2-5-11(6-3-1)13-10-19-14(16-13)17-15-9-12-7-4-8-18-12/h1-10H,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 269.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 5333452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).