(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

C20H22N6OS — CID 118081640

IUPAC(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
SMILESCCCO/N=C1\CCN(C)c2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C20H22N6OS/c1-4-10-27-25-15-7-9-26(3)19-17(15)24-16(12-22-19)18-13(2)23-20(28-18)14-6-5-8-21-11-14/h5-6,8,11-12H,4,7,9-10H2,1-3H3/b25-15+
InChIKeySNVKLXIGQSJXCP-MFKUBSTISA-N
MW394.50 g/mol
LogP3.94
Rot. Bonds5

About (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

(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 (PubChem CID 118081640) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID118081640
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name(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
SMILESCCCO/N=C1\CCN(C)c2ncc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C20H22N6OS/c1-4-10-27-25-15-7-9-26(3)19-17(15)24-16(12-22-19)18-13(2)23-20(28-18)14-6-5-8-21-11-14/h5-6,8,11-12H,4,7,9-10H2,1-3H3/b25-15+
InChIKeySNVKLXIGQSJXCP-MFKUBSTISA-N
XLogP3.94
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.94
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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Related Compounds

(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 118081741
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)-1-methyl-N-propoxy-6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081538
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-7,8-dihydro-6H-1,2,4-benzotriazin-5-imine
CID 123989234
(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
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
4-methyl-5-(5-methyl-8-nitroso-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123619020
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)-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)-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
(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-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-imine
CID 123375991

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCO/N=C1\CCN(C)c2ncc(-c3sc(-c4cccnc4)nc3C)nc21.
What is the InChIKey of (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?
The InChIKey is SNVKLXIGQSJXCP-MFKUBSTISA-N. The full InChI is InChI=1S/C20H22N6OS/c1-4-10-27-25-15-7-9-26(3)19-17(15)24-16(12-22-19)18-13(2)23-20(28-18)14-6-5-8-21-11-14/h5-6,8,11-12H,4,7,9-10H2,1-3H3/b25-15+.
What are the key properties of (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?
(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 has a molecular weight of 394.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 118081640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).