(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

C19H19N5O3S — CID 8716136

IUPAC(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(C)c([N+](=O)[O-])c2)n1/N=C\c1ccccn1
InChIInChI=1S/C19H19N5O3S/c1-14-6-7-15(11-17(14)24(25)26)18-13-28-19(21-9-10-27-2)23(18)22-12-16-5-3-4-8-20-16/h3-8,11-13H,9-10H2,1-2H3/b21-19-,22-12-
InChIKeyWDVBCYQBSMAUCK-VEFQCPSBSA-N
MW397.46 g/mol
LogP3.26
Rot. Bonds7

About (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 8716136) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID8716136
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2ccc(C)c([N+](=O)[O-])c2)n1/N=C\c1ccccn1
InChIInChI=1S/C19H19N5O3S/c1-14-6-7-15(11-17(14)24(25)26)18-13-28-19(21-9-10-27-2)23(18)22-12-16-5-3-4-8-20-16/h3-8,11-13H,9-10H2,1-2H3/b21-19-,22-12-
InChIKeyWDVBCYQBSMAUCK-VEFQCPSBSA-N
XLogP3.26
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.26
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 9368245
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9410516
N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23963369
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
N-(2-methoxyethyl)-4-(4-methoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine
CID 2366125
(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9368300
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
(Z)-3-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 7975591
(Z)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-2-ylmethylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 7974519
(Z)-N-(2-methoxyethyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7975500
2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide
CID 8716107

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 8716136) is (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2ccc(C)c([N+](=O)[O-])c2)n1/N=C\c1ccccn1.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is WDVBCYQBSMAUCK-VEFQCPSBSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-14-6-7-15(11-17(14)24(25)26)18-13-28-19(21-9-10-27-2)23(18)22-12-16-5-3-4-8-20-16/h3-8,11-13H,9-10H2,1-2H3/b21-19-,22-12-.
What are the key properties of (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 397.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 8716136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).