(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine

C19H17N5O2S — CID 118081636

IUPAC(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESC=CCO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C19H17N5O2S/c1-3-8-26-24-14-6-9-25-18-16(14)23-15(11-21-18)17-12(2)22-19(27-17)13-5-4-7-20-10-13/h3-5,7,10-11H,1,6,8-9H2,2H3/b24-14+
InChIKeyUJFACJSSTIZSLA-ZVHZXABRSA-N
MW379.45 g/mol
LogP3.66
Rot. Bonds5

About (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine

(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (PubChem CID 118081636) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine.

Molecular Properties

Compound Name(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
PubChem CID118081636
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESC=CCO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C19H17N5O2S/c1-3-8-26-24-14-6-9-25-18-16(14)23-15(11-21-18)17-12(2)22-19(27-17)13-5-4-7-20-10-13/h3-5,7,10-11H,1,6,8-9H2,2H3/b24-14+
InChIKeyUJFACJSSTIZSLA-ZVHZXABRSA-N
XLogP3.66
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.66
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': 'isolated_alkene', '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)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The IUPAC name of (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (CID 118081636) is (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine.
What is the SMILES notation for (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The canonical SMILES for (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is C=CCO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21.
What is the InChIKey of (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The InChIKey is UJFACJSSTIZSLA-ZVHZXABRSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-3-8-26-24-14-6-9-25-18-16(14)23-15(11-21-18)17-12(2)22-19(27-17)13-5-4-7-20-10-13/h3-5,7,10-11H,1,6,8-9H2,2H3/b24-14+.
What are the key properties of (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine has a molecular weight of 379.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is sourced from PubChem (CID 118081636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).