(E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine

C17H14N6O2S — CID 118081713

IUPAC(E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
SMILESC=CCO/N=C1\CCOc2nnc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C17H14N6O2S/c1-2-7-25-23-12-5-8-24-16-14(12)20-15(21-22-16)13-10-19-17(26-13)11-4-3-6-18-9-11/h2-4,6,9-10H,1,5,7-8H2/b23-12+
InChIKeyFWWNUXAPHJNFTO-FSJBWODESA-N
MW366.41 g/mol
LogP2.75
Rot. Bonds5

About (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine

(E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine (PubChem CID 118081713) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine.

Molecular Properties

Compound Name(E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
PubChem CID118081713
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name(E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
SMILESC=CCO/N=C1\CCOc2nnc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C17H14N6O2S/c1-2-7-25-23-12-5-8-24-16-14(12)20-15(21-22-16)13-10-19-17(26-13)11-4-3-6-18-9-11/h2-4,6,9-10H,1,5,7-8H2/b23-12+
InChIKeyFWWNUXAPHJNFTO-FSJBWODESA-N
XLogP2.75
TPSA95.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

Analyze (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-propoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
CID 118081712
8-methylsulfonyl-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 123676120
6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-2,3-dihydropyrano[3,2-b]pyridin-4-imine
CID 123165845
(E)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propan-2-yloxy-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine
CID 118081737
(E)-N-methoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-7,8-dihydro-6H-1,2,4-benzotriazin-5-imine
CID 118081704
N-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
CID 123620363
(E)-N-ethoxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-imine
CID 118081752
4-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-prop-2-enoxy-5,6-dihydro-[1,3]oxazolo[5,4-b]pyridin-7-imine
CID 123848107
N-methoxy-8-methylsulfonyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 123650024
N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine
CID 123154926
(E)-8-methylsulfonyl-N-propan-2-yloxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 118081723
(E)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081538

Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
The IUPAC name of (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine (CID 118081713) is (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine.
What is the SMILES notation for (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
The canonical SMILES for (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine is C=CCO/N=C1\CCOc2nnc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
The InChIKey is FWWNUXAPHJNFTO-FSJBWODESA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-2-7-25-23-12-5-8-24-16-14(12)20-15(21-22-16)13-10-19-17(26-13)11-4-3-6-18-9-11/h2-4,6,9-10H,1,5,7-8H2/b23-12+.
What are the key properties of (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine?
(E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine has a molecular weight of 366.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-2-enoxy-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[3,2-e][1,2,4]triazin-5-imine is sourced from PubChem (CID 118081713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).