(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine

C21H19N5OS — CID 9368300

IUPAC(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccccc2)n1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C21H19N5OS/c1-27-12-11-22-21-26(20(15-28-21)16-7-3-2-4-8-16)24-14-17-13-23-18-9-5-6-10-19(18)25-17/h2-10,13-15H,11-12H2,1H3/b22-21-,24-14-
InChIKeyFMBOYUAFVNFAQI-OMOXKELOSA-N
MW389.48 g/mol
LogP3.59
Rot. Bonds6

About (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine

(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 9368300) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID9368300
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccccc2)n1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C21H19N5OS/c1-27-12-11-22-21-26(20(15-28-21)16-7-3-2-4-8-16)24-14-17-13-23-18-9-5-6-10-19(18)25-17/h2-10,13-15H,11-12H2,1H3/b22-21-,24-14-
InChIKeyFMBOYUAFVNFAQI-OMOXKELOSA-N
XLogP3.59
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine with MolForge

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Related Compounds

(Z)-N-(2-methoxyethyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7975500
(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 9368245
3-[(2-bromophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2448034
(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 8716136
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9410516
(Z)-3-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 7975591
4-[(Z)-[4-(4-fluorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 7975619
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
(E)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905379

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 9368300) is (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccccc2)n1/N=C\c1cnc2ccccc2n1.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is FMBOYUAFVNFAQI-OMOXKELOSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-27-12-11-22-21-26(20(15-28-21)16-7-3-2-4-8-16)24-14-17-13-23-18-9-5-6-10-19(18)25-17/h2-10,13-15H,11-12H2,1H3/b22-21-,24-14-.
What are the key properties of (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 389.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 9368300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).