(2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile

C10H8N2OS — CID 163820674

IUPAC(2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile
SMILESC=C/C(C#N)=C\C=C\n1ccsc1=O
InChIInChI=1S/C10H8N2OS/c1-2-9(8-11)4-3-5-12-6-7-14-10(12)13/h2-7H,1H2/b5-3+,9-4+
InChIKeyNVCVKLXNNAGFNU-BMVOEDMYSA-N
MW204.25 g/mol
LogP2.02
Rot. Bonds3

About (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile

(2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile (PubChem CID 163820674) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile
PubChem CID163820674
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name(2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile
SMILESC=C/C(C#N)=C\C=C\n1ccsc1=O
InChIInChI=1S/C10H8N2OS/c1-2-9(8-11)4-3-5-12-6-7-14-10(12)13/h2-7H,1H2/b5-3+,9-4+
InChIKeyNVCVKLXNNAGFNU-BMVOEDMYSA-N
XLogP2.02
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile (CID 163820674) is (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile is C=C/C(C#N)=C\C=C\n1ccsc1=O.
What is the InChIKey of (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile?
The InChIKey is NVCVKLXNNAGFNU-BMVOEDMYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-2-9(8-11)4-3-5-12-6-7-14-10(12)13/h2-7H,1H2/b5-3+,9-4+.
What are the key properties of (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile?
(2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile has a molecular weight of 204.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-5-(2-oxo-1,3-thiazol-3-yl)penta-2,4-dienenitrile is sourced from PubChem (CID 163820674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).