1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

C14H22N6O5 — CID 134111809

IUPAC1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESNC(=O)N(CCN1CCN(CCO)CC1)/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H22N6O5/c15-14(22)19(16-11-12-1-2-13(25-12)20(23)24)8-7-17-3-5-18(6-4-17)9-10-21/h1-2,11,21H,3-10H2,(H2,15,22)/b16-11+
InChIKeyGLOWHTLSMAECQV-LFIBNONCSA-N
MW354.37 g/mol
LogP-0.49
Rot. Bonds8

About 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea (PubChem CID 134111809) has the molecular formula C14H22N6O5 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
PubChem CID134111809
Molecular FormulaC14H22N6O5
Molecular Weight354.37 g/mol
Exact Mass354.17
IUPAC Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESNC(=O)N(CCN1CCN(CCO)CC1)/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H22N6O5/c15-14(22)19(16-11-12-1-2-13(25-12)20(23)24)8-7-17-3-5-18(6-4-17)9-10-21/h1-2,11,21H,3-10H2,(H2,15,22)/b16-11+
InChIKeyGLOWHTLSMAECQV-LFIBNONCSA-N
XLogP-0.49
TPSA141.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 6061574
1-[3-(4-methylpiperidin-1-yl)propyl]-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]guanidine;trihydrobromide
CID 173385461
ethyl N-butyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 134102406
ethyl 2-[[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoyl]amino]acetate
CID 134090291
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 154206915
2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid
CID 57093407
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
(1E)-1-[(5-nitrofuran-2-yl)methylidene]guanidine
CID 122707394
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
3-(hydroxymethyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6436103

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea (CID 134111809) is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea is NC(=O)N(CCN1CCN(CCO)CC1)/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
The InChIKey is GLOWHTLSMAECQV-LFIBNONCSA-N. The full InChI is InChI=1S/C14H22N6O5/c15-14(22)19(16-11-12-1-2-13(25-12)20(23)24)8-7-17-3-5-18(6-4-17)9-10-21/h1-2,11,21H,3-10H2,(H2,15,22)/b16-11+.
What are the key properties of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea?
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea has a molecular weight of 354.37 g/mol, XLogP of -0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 134111809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).