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

C17H15N5O2S — CID 118081634

IUPAC(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C17H15N5O2S/c1-10-15(25-17(20-10)11-4-3-6-18-8-11)13-9-19-16-14(21-13)12(22-23-2)5-7-24-16/h3-4,6,8-9H,5,7H2,1-2H3/b22-12+
InChIKeyUPGDVYDVHLIQMT-WSDLNYQXSA-N
MW353.41 g/mol
LogP3.10
Rot. Bonds3

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

(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (PubChem CID 118081634) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
PubChem CID118081634
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C17H15N5O2S/c1-10-15(25-17(20-10)11-4-3-6-18-8-11)13-9-19-16-14(21-13)12(22-23-2)5-7-24-16/h3-4,6,8-9H,5,7H2,1-2H3/b22-12+
InChIKeyUPGDVYDVHLIQMT-WSDLNYQXSA-N
XLogP3.10
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.10
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'}

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

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Launch Full Analysis

Related Compounds

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
N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
(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
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)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-imine
CID 118081776
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)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine
CID 118073291
(E)-5-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
CID 118081640
(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(3,3,3-trifluoropropoxy)-6,7-dihydro-5H-quinolin-8-imine
CID 118081574
N-(2,2-difluoropropoxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123360423
(E)-N-(2,2-difluoropropoxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 118081603
(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(3,4,4-trifluorobut-3-enoxy)-6,7-dihydro-5H-quinolin-8-imine
CID 118081579

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The IUPAC name of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (CID 118081634) is (E)-N-methoxy-2-(4-methyl-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-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The canonical SMILES for (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is CO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21.
What is the InChIKey of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The InChIKey is UPGDVYDVHLIQMT-WSDLNYQXSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-10-15(25-17(20-10)11-4-3-6-18-8-11)13-9-19-16-14(21-13)12(22-23-2)5-7-24-16/h3-4,6,8-9H,5,7H2,1-2H3/b22-12+.
What are the key properties of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
(E)-N-methoxy-2-(4-methyl-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 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is sourced from PubChem (CID 118081634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).