4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

C14H14N2O2S — CID 2863067

IUPAC4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(C2COc3ccccc3O2)cs1
InChIInChI=1S/C14H14N2O2S/c1-2-7-15-14-16-10(9-19-14)13-8-17-11-5-3-4-6-12(11)18-13/h2-6,9,13H,1,7-8H2,(H,15,16)
InChIKeyRMUQRTIUAGPJRR-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.25
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 2863067) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID2863067
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(C2COc3ccccc3O2)cs1
InChIInChI=1S/C14H14N2O2S/c1-2-7-15-14-16-10(9-19-14)13-8-17-11-5-3-4-6-12(11)18-13/h2-6,9,13H,1,7-8H2,(H,15,16)
InChIKeyRMUQRTIUAGPJRR-UHFFFAOYSA-N
XLogP3.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 2863067) is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(C2COc3ccccc3O2)cs1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is RMUQRTIUAGPJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-7-15-14-16-10(9-19-14)13-8-17-11-5-3-4-6-12(11)18-13/h2-6,9,13H,1,7-8H2,(H,15,16).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 274.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2863067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).