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

C18H17N5O2S — CID 118081614

IUPAC(E)-N-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCCCO/N=C1\CCOc2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C18H17N5O2S/c1-2-7-25-23-13-5-8-24-17-16(13)22-14(10-20-17)15-11-21-18(26-15)12-4-3-6-19-9-12/h3-4,6,9-11H,2,5,7-8H2,1H3/b23-13+
InChIKeyJQNDMHZOASERMB-YDZHTSKRSA-N
MW367.43 g/mol
LogP3.58
Rot. Bonds5

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

(E)-N-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (PubChem CID 118081614) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is (E)-N-propoxy-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-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
PubChem CID118081614
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name(E)-N-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCCCO/N=C1\CCOc2ncc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C18H17N5O2S/c1-2-7-25-23-13-5-8-24-17-16(13)22-14(10-20-17)15-11-21-18(26-15)12-4-3-6-19-9-12/h3-4,6,9-11H,2,5,7-8H2,1H3/b23-13+
InChIKeyJQNDMHZOASERMB-YDZHTSKRSA-N
XLogP3.58
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propoxy-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-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (CID 118081614) is (E)-N-propoxy-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-propoxy-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-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is CCCO/N=C1\CCOc2ncc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of (E)-N-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The InChIKey is JQNDMHZOASERMB-YDZHTSKRSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-2-7-25-23-13-5-8-24-17-16(13)22-14(10-20-17)15-11-21-18(26-15)12-4-3-6-19-9-12/h3-4,6,9-11H,2,5,7-8H2,1H3/b23-13+.
What are the key properties of (E)-N-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
(E)-N-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine has a molecular weight of 367.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is sourced from PubChem (CID 118081614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).