(E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

C18H16N4S — CID 6902581

IUPAC(E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1
InChIInChI=1S/C18H16N4S/c1-2-11-20-18-22(21-13-16-10-6-7-12-19-16)17(14-23-18)15-8-4-3-5-9-15/h2-10,12-14H,1,11H2/b20-18-,21-13+
InChIKeyLXQCSZJGSMDNLU-RXFJDIBSSA-N
MW320.42 g/mol
LogP3.58
Rot. Bonds5

About (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6902581) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6902581
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name(E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1
InChIInChI=1S/C18H16N4S/c1-2-11-20-18-22(21-13-16-10-6-7-12-19-16)17(14-23-18)15-8-4-3-5-9-15/h2-10,12-14H,1,11H2/b20-18-,21-13+
InChIKeyLXQCSZJGSMDNLU-RXFJDIBSSA-N
XLogP3.58
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6902581) is (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1.
What is the InChIKey of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is LXQCSZJGSMDNLU-RXFJDIBSSA-N. The full InChI is InChI=1S/C18H16N4S/c1-2-11-20-18-22(21-13-16-10-6-7-12-19-16)17(14-23-18)15-8-4-3-5-9-15/h2-10,12-14H,1,11H2/b20-18-,21-13+.
What are the key properties of (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 320.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).