4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine

C24H19N3OS — CID 23913019

IUPAC4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2CCc2ccccn2)cc1
InChIInChI=1S/C24H19N3OS/c1-2-10-20(11-3-1)26-24-27(15-13-19-9-6-7-14-25-19)21(17-29-24)23-16-18-8-4-5-12-22(18)28-23/h1-12,14,16-17H,13,15H2/b26-24-
InChIKeyHVTNAVBGCFRQFU-LCUIJRPUSA-N
MW397.50 g/mol
LogP5.83
Rot. Bonds5

About 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine

4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine (PubChem CID 23913019) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
PubChem CID23913019
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2CCc2ccccn2)cc1
InChIInChI=1S/C24H19N3OS/c1-2-10-20(11-3-1)26-24-27(15-13-19-9-6-7-14-25-19)21(17-29-24)23-16-18-8-4-5-12-22(18)28-23/h1-12,14,16-17H,13,15H2/b26-24-
InChIKeyHVTNAVBGCFRQFU-LCUIJRPUSA-N
XLogP5.83
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine (CID 23913019) is 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine is c1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2CCc2ccccn2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is HVTNAVBGCFRQFU-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H19N3OS/c1-2-10-20(11-3-1)26-24-27(15-13-19-9-6-7-14-25-19)21(17-29-24)23-16-18-8-4-5-12-22(18)28-23/h1-12,14,16-17H,13,15H2/b26-24-.
What are the key properties of 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 397.50 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23913019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).