(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene

C14H13N5O5S — CID 27102282

IUPAC(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCOCC3)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N5O5S/c20-18(21)10-1-2-11(12(9-10)19(22)23)15-16-13-3-4-14(25-13)17-5-7-24-8-6-17/h1-4,9H,5-8H2/b16-15+
InChIKeyJKIDMOLFUUJPJR-FOCLMDBBSA-N
MW363.36 g/mol
LogP3.82
Rot. Bonds5

About (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene

(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene (PubChem CID 27102282) has the molecular formula C14H13N5O5S and a molecular weight of 363.36 g/mol. Its IUPAC name is (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene.

Molecular Properties

Compound Name(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene
PubChem CID27102282
Molecular FormulaC14H13N5O5S
Molecular Weight363.36 g/mol
Exact Mass363.06
IUPAC Name(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCOCC3)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N5O5S/c20-18(21)10-1-2-11(12(9-10)19(22)23)15-16-13-3-4-14(25-13)17-5-7-24-8-6-17/h1-4,9H,5-8H2/b16-15+
InChIKeyJKIDMOLFUUJPJR-FOCLMDBBSA-N
XLogP3.82
TPSA123.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

(2,4-dinitrophenyl)-[3-methoxy-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene
CID 59006096
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
CID 6282814
3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol
CID 4664439
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
CID 15129640
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 4147907
N-(2,4-dinitrophenyl)-1-methylpyridin-4-imine
CID 10869482
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine
CID 126836069

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene?
The IUPAC name of (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene (CID 27102282) is (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene.
What is the SMILES notation for (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene?
The canonical SMILES for (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene is O=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCOCC3)s2)c([N+](=O)[O-])c1.
What is the InChIKey of (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene?
The InChIKey is JKIDMOLFUUJPJR-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H13N5O5S/c20-18(21)10-1-2-11(12(9-10)19(22)23)15-16-13-3-4-14(25-13)17-5-7-24-8-6-17/h1-4,9H,5-8H2/b16-15+.
What are the key properties of (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene?
(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene has a molecular weight of 363.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene is sourced from PubChem (CID 27102282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).