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

C19H19N5O2S — CID 118081637

IUPAC(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCCCO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C19H19N5O2S/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/h4-5,7,10-11H,3,6,8-9H2,1-2H3/b24-14+
InChIKeyCHKSCUKSJZIZNK-ZVHZXABRSA-N
MW381.46 g/mol
LogP3.88
Rot. Bonds5

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

(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (PubChem CID 118081637) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-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-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
PubChem CID118081637
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
SMILESCCCO/N=C1\CCOc2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C19H19N5O2S/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/h4-5,7,10-11H,3,6,8-9H2,1-2H3/b24-14+
InChIKeyCHKSCUKSJZIZNK-ZVHZXABRSA-N
XLogP3.88
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.88
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)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-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-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine (CID 118081637) is (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-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-propoxy-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-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is CCCO/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-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
The InChIKey is CHKSCUKSJZIZNK-ZVHZXABRSA-N. The full InChI is InChI=1S/C19H19N5O2S/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/h4-5,7,10-11H,3,6,8-9H2,1-2H3/b24-14+.
What are the key properties of (E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine?
(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine has a molecular weight of 381.46 g/mol, XLogP of 3.88, 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-propoxy-6,7-dihydropyrano[2,3-b]pyrazin-8-imine is sourced from PubChem (CID 118081637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).