N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline

C15H16N4O3S — CID 6282814

IUPACN-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(N/N=C\c2ccc(N3CCOCC3)s2)c1
InChIInChI=1S/C15H16N4O3S/c20-19(21)13-3-1-2-12(10-13)17-16-11-14-4-5-15(23-14)18-6-8-22-9-7-18/h1-5,10-11,17H,6-9H2/b16-11-
InChIKeyIONRPIYOYBXOOR-WJDWOHSUSA-N
MW332.38 g/mol
LogP2.94
Rot. Bonds5

About N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline

N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline (PubChem CID 6282814) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
PubChem CID6282814
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC NameN-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(N/N=C\c2ccc(N3CCOCC3)s2)c1
InChIInChI=1S/C15H16N4O3S/c20-19(21)13-3-1-2-12(10-13)17-16-11-14-4-5-15(23-14)18-6-8-22-9-7-18/h1-5,10-11,17H,6-9H2/b16-11-
InChIKeyIONRPIYOYBXOOR-WJDWOHSUSA-N
XLogP2.94
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

N,N-diethyl-2-[(2Z)-2-[(5-morpholin-4-ylthiophen-2-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 6145031
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 4147907
N-[[4-(4-methylpiperidin-1-yl)phenyl]methylideneamino]-3-nitroaniline
CID 110842335
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
CID 4061939
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
2-[(E)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 171979596
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
3-nitro-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
CID 3634542
2-[(E)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637378
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
N,N-diethyl-5-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine
CID 9077230

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline?
The IUPAC name of N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline (CID 6282814) is N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline.
What is the SMILES notation for N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline?
The canonical SMILES for N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline is O=[N+]([O-])c1cccc(N/N=C\c2ccc(N3CCOCC3)s2)c1.
What is the InChIKey of N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline?
The InChIKey is IONRPIYOYBXOOR-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-19(21)13-3-1-2-12(10-13)17-16-11-14-4-5-15(23-14)18-6-8-22-9-7-18/h1-5,10-11,17H,6-9H2/b16-11-.
What are the key properties of N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline?
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline has a molecular weight of 332.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline is sourced from PubChem (CID 6282814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).