4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine

C15H15N3OS — CID 2998728

IUPAC4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC(C)n1c(-c2ccco2)cs/c1=N\c1cccnc1
InChIInChI=1S/C15H15N3OS/c1-11(2)18-13(14-6-4-8-19-14)10-20-15(18)17-12-5-3-7-16-9-12/h3-11H,1-2H3/b17-15-
InChIKeyAYBQXRYOEQODMM-ICFOKQHNSA-N
MW285.37 g/mol
LogP4.02
Rot. Bonds3

About 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 2998728) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID2998728
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC(C)n1c(-c2ccco2)cs/c1=N\c1cccnc1
InChIInChI=1S/C15H15N3OS/c1-11(2)18-13(14-6-4-8-19-14)10-20-15(18)17-12-5-3-7-16-9-12/h3-11H,1-2H3/b17-15-
InChIKeyAYBQXRYOEQODMM-ICFOKQHNSA-N
XLogP4.02
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.02
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-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 2998728) is 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine is CC(C)n1c(-c2ccco2)cs/c1=N\c1cccnc1.
What is the InChIKey of 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is AYBQXRYOEQODMM-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11(2)18-13(14-6-4-8-19-14)10-20-15(18)17-12-5-3-7-16-9-12/h3-11H,1-2H3/b17-15-.
What are the key properties of 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 285.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 2998728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).