(6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C17H10N4O4S — CID 24846833

IUPAC(6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1/c(=C\C=C\c2ccc([N+](=O)[O-])o2)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C17H10N4O4S/c22-16-13(8-4-7-12-9-10-14(25-12)21(23)24)26-17-19-18-15(20(16)17)11-5-2-1-3-6-11/h1-10H/b7-4+,13-8+
InChIKeyQRQZQRHUMUDHNN-ZAUJTXRMSA-N
MW366.36 g/mol
LogP2.53
Rot. Bonds4

About (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

(6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 24846833) has the molecular formula C17H10N4O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID24846833
Molecular FormulaC17H10N4O4S
Molecular Weight366.36 g/mol
Exact Mass366.04
IUPAC Name(6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1/c(=C\C=C\c2ccc([N+](=O)[O-])o2)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C17H10N4O4S/c22-16-13(8-4-7-12-9-10-14(25-12)21(23)24)26-17-19-18-15(20(16)17)11-5-2-1-3-6-11/h1-10H/b7-4+,13-8+
InChIKeyQRQZQRHUMUDHNN-ZAUJTXRMSA-N
XLogP2.53
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 24846833) is (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is O=c1/c(=C\C=C\c2ccc([N+](=O)[O-])o2)sc2nnc(-c3ccccc3)n12.
What is the InChIKey of (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is QRQZQRHUMUDHNN-ZAUJTXRMSA-N. The full InChI is InChI=1S/C17H10N4O4S/c22-16-13(8-4-7-12-9-10-14(25-12)21(23)24)26-17-19-18-15(20(16)17)11-5-2-1-3-6-11/h1-10H/b7-4+,13-8+.
What are the key properties of (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 366.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 24846833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).