N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine

C19H18N4O2S — CID 123154926

IUPACN-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine
SMILESCCON=C1CCOc2ccc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C19H18N4O2S/c1-3-25-23-14-8-10-24-16-7-6-15(22-17(14)16)18-12(2)21-19(26-18)13-5-4-9-20-11-13/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyUWBQNGQEEVQVHS-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.10
Rot. Bonds4

About N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine

N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine (PubChem CID 123154926) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine.

Molecular Properties

Compound NameN-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine
PubChem CID123154926
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine
SMILESCCON=C1CCOc2ccc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C19H18N4O2S/c1-3-25-23-14-8-10-24-16-7-6-15(22-17(14)16)18-12(2)21-19(26-18)13-5-4-9-20-11-13/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyUWBQNGQEEVQVHS-UHFFFAOYSA-N
XLogP4.10
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

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
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-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081561
N-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-imine
CID 123375991
(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
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
N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methoxy]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123903666
N-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-methylsulfonyl-5,6-dihydro-[1,3]oxazolo[5,4-b]pyridin-7-imine
CID 123741490
(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
(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

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine?
The IUPAC name of 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) is N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine.
What is the SMILES notation for N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine?
The canonical SMILES for N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine is CCON=C1CCOc2ccc(-c3sc(-c4cccnc4)nc3C)nc21.
What is the InChIKey of N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine?
The InChIKey is UWBQNGQEEVQVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-3-25-23-14-8-10-24-16-7-6-15(22-17(14)16)18-12(2)21-19(26-18)13-5-4-9-20-11-13/h4-7,9,11H,3,8,10H2,1-2H3.
What are the key properties of N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine?
N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine has a molecular weight of 366.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydropyrano[3,2-b]pyridin-4-imine is sourced from PubChem (CID 123154926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).