(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

C20H11FN2O2S — CID 7172715

IUPAC(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccco2)cs1
InChIInChI=1S/C20H11FN2O2S/c21-15-5-3-13(4-6-15)18-8-7-16(25-18)10-14(11-22)20-23-17(12-26-20)19-2-1-9-24-19/h1-10,12H/b14-10+
InChIKeySRPYYTICUGFOCP-GXDHUFHOSA-N
MW362.39 g/mol
LogP5.87
Rot. Bonds4

About (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (PubChem CID 7172715) has the molecular formula C20H11FN2O2S and a molecular weight of 362.39 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
PubChem CID7172715
Molecular FormulaC20H11FN2O2S
Molecular Weight362.39 g/mol
Exact Mass362.05
IUPAC Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccco2)cs1
InChIInChI=1S/C20H11FN2O2S/c21-15-5-3-13(4-6-15)18-8-7-16(25-18)10-14(11-22)20-23-17(12-26-20)19-2-1-9-24-19/h1-10,12H/b14-10+
InChIKeySRPYYTICUGFOCP-GXDHUFHOSA-N
XLogP5.87
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CID 7172715) is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccco2)cs1.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The InChIKey is SRPYYTICUGFOCP-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H11FN2O2S/c21-15-5-3-13(4-6-15)18-8-7-16(25-18)10-14(11-22)20-23-17(12-26-20)19-2-1-9-24-19/h1-10,12H/b14-10+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile has a molecular weight of 362.39 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 7172715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).