4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine

C19H19N3O2S — CID 1260326

IUPAC4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(OC)c(OC)c2)csc1=Nc1ccccn1
InChIInChI=1S/C19H19N3O2S/c1-4-11-22-15(14-8-9-16(23-2)17(12-14)24-3)13-25-19(22)21-18-7-5-6-10-20-18/h4-10,12-13H,1,11H2,2-3H3
InChIKeyYFCVUMHBJSILIC-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.05
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine

4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine (PubChem CID 1260326) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine
PubChem CID1260326
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(OC)c(OC)c2)csc1=Nc1ccccn1
InChIInChI=1S/C19H19N3O2S/c1-4-11-22-15(14-8-9-16(23-2)17(12-14)24-3)13-25-19(22)21-18-7-5-6-10-20-18/h4-10,12-13H,1,11H2,2-3H3
InChIKeyYFCVUMHBJSILIC-UHFFFAOYSA-N
XLogP4.05
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine (CID 1260326) is 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine is C=CCn1c(-c2ccc(OC)c(OC)c2)csc1=Nc1ccccn1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine?
The InChIKey is YFCVUMHBJSILIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-11-22-15(14-8-9-16(23-2)17(12-14)24-3)13-25-19(22)21-18-7-5-6-10-20-18/h4-10,12-13H,1,11H2,2-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine?
4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine has a molecular weight of 353.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-prop-2-enyl-N-pyridin-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 1260326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).