5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine

C12H16N4O4S — CID 133314983

IUPAC5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCOCC2CCCO2)nc2sccn12
InChIInChI=1S/C12H16N4O4S/c17-16(18)11-10(14-12-15(11)4-7-21-12)13-3-6-19-8-9-2-1-5-20-9/h4,7,9,13H,1-3,5-6,8H2
InChIKeyXPJCPRQXJXMXGW-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.91
Rot. Bonds7

About 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 133314983) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID133314983
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCCOCC2CCCO2)nc2sccn12
InChIInChI=1S/C12H16N4O4S/c17-16(18)11-10(14-12-15(11)4-7-21-12)13-3-6-19-8-9-2-1-5-20-9/h4,7,9,13H,1-3,5-6,8H2
InChIKeyXPJCPRQXJXMXGW-UHFFFAOYSA-N
XLogP1.91
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
2-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propyl]cyclohexan-1-ol
CID 133384953
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103757363
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
5-nitro-N-(2-piperazin-1-ylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43600445
N-[(1,1-dioxothiolan-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 81042876
N-(4-methylsulfanylbutyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 113238843
N-(2-methyloxan-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103889246
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
6-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]-1,3-benzothiazol-2-amine
CID 75371848

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 133314983) is 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCCOCC2CCCO2)nc2sccn12.
What is the InChIKey of 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is XPJCPRQXJXMXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c17-16(18)11-10(14-12-15(11)4-7-21-12)13-3-6-19-8-9-2-1-5-20-9/h4,7,9,13H,1-3,5-6,8H2.
What are the key properties of 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 312.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 133314983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).