N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine

C8H10N4O3S — CID 62348908

IUPACN-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
SMILESCNCCOc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3S/c1-9-2-4-15-6-7(12(13)14)11-3-5-16-8(11)10-6/h3,5,9H,2,4H2,1H3
InChIKeyPOLYYLDBPJMVNS-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.90
Rot. Bonds5

About N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine

N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine (PubChem CID 62348908) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
PubChem CID62348908
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC NameN-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
SMILESCNCCOc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3S/c1-9-2-4-15-6-7(12(13)14)11-3-5-16-8(11)10-6/h3,5,9H,2,4H2,1H3
InChIKeyPOLYYLDBPJMVNS-UHFFFAOYSA-N
XLogP0.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504
6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 16780125
6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 86972120
[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
CID 106485625
5-nitro-6-(piperidin-3-ylmethoxy)imidazo[2,1-b][1,3]thiazole
CID 62348590
6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 47012917
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 63831888
6-(2-bromo-3-methoxypropyl)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 63205151
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
N-(4-methylsulfanylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 113238843

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine (CID 62348908) is N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine is CNCCOc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine?
The InChIKey is POLYYLDBPJMVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-9-2-4-15-6-7(12(13)14)11-3-5-16-8(11)10-6/h3,5,9H,2,4H2,1H3.
What are the key properties of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine?
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine has a molecular weight of 242.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine is sourced from PubChem (CID 62348908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).