(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine

C17H15N5O2S — CID 118081613

IUPAC(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCCO/N=C1\CCOc2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C17H15N5O2S/c1-2-24-22-12-5-7-23-16-15(12)21-13(9-19-16)14-10-20-17(25-14)11-4-3-6-18-8-11/h3-4,6,8-10H,2,5,7H2,1H3/b22-12+
InChIKeyIRBIWEDIWXKPPT-WSDLNYQXSA-N
MW353.41 g/mol
LogP3.19
Rot. Bonds4

About (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine

(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (PubChem CID 118081613) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine.

Molecular Properties

Compound Name(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
PubChem CID118081613
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCCO/N=C1\CCOc2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C17H15N5O2S/c1-2-24-22-12-5-7-23-16-15(12)21-13(9-19-16)14-10-20-17(25-14)11-4-3-6-18-8-11/h3-4,6,8-10H,2,5,7H2,1H3/b22-12+
InChIKeyIRBIWEDIWXKPPT-WSDLNYQXSA-N
XLogP3.19
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The IUPAC name of (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (CID 118081613) is (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine.
What is the SMILES notation for (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The canonical SMILES for (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is CCO/N=C1\CCOc2ncc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The InChIKey is IRBIWEDIWXKPPT-WSDLNYQXSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-2-24-22-12-5-7-23-16-15(12)21-13(9-19-16)14-10-20-17(25-14)11-4-3-6-18-8-11/h3-4,6,8-10H,2,5,7H2,1H3/b22-12+.
What are the key properties of (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine has a molecular weight of 353.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is sourced from PubChem (CID 118081613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).