2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol

C8H15N5O3S — CID 101132493

IUPAC2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol
SMILESO=[N+]([O-])C1=CNC(NC2NCCN2CCO)S1
InChIInChI=1S/C8H15N5O3S/c14-4-3-12-2-1-9-7(12)11-8-10-5-6(17-8)13(15)16/h5,7-11,14H,1-4H2
InChIKeyGTCUCOQTTJAIOA-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.55
Rot. Bonds5

About 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol

2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol (PubChem CID 101132493) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol
PubChem CID101132493
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol
SMILESO=[N+]([O-])C1=CNC(NC2NCCN2CCO)S1
InChIInChI=1S/C8H15N5O3S/c14-4-3-12-2-1-9-7(12)11-8-10-5-6(17-8)13(15)16/h5,7-11,14H,1-4H2
InChIKeyGTCUCOQTTJAIOA-UHFFFAOYSA-N
XLogP-1.55
TPSA102.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol?
The IUPAC name of 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol (CID 101132493) is 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol is O=[N+]([O-])C1=CNC(NC2NCCN2CCO)S1.
What is the InChIKey of 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol?
The InChIKey is GTCUCOQTTJAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c14-4-3-12-2-1-9-7(12)11-8-10-5-6(17-8)13(15)16/h5,7-11,14H,1-4H2.
What are the key properties of 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol?
2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol has a molecular weight of 261.31 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-nitro-2,3-dihydro-1,3-thiazol-2-yl)amino]imidazolidin-1-yl]ethanol is sourced from PubChem (CID 101132493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).