N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C10H12N4O2S — CID 43427706

IUPACN-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCC2CCC2)nc2sccn12
InChIInChI=1S/C10H12N4O2S/c15-14(16)9-8(11-6-7-2-1-3-7)12-10-13(9)4-5-17-10/h4-5,7,11H,1-3,6H2
InChIKeyMBALUKFDAHISHI-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.52
Rot. Bonds4

About N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43427706) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43427706
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(NCC2CCC2)nc2sccn12
InChIInChI=1S/C10H12N4O2S/c15-14(16)9-8(11-6-7-2-1-3-7)12-10-13(9)4-5-17-10/h4-5,7,11H,1-3,6H2
InChIKeyMBALUKFDAHISHI-UHFFFAOYSA-N
XLogP2.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 81042876
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
2-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propyl]cyclohexan-1-ol
CID 133384953
N'-cyclopropyl-N'-methyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 47981993
2-[2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclopentyl]ethanol
CID 133496348
5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 133314983
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60701927
trans-(1R,2R)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]cyclohexan-1-ol
CID 94415218
[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol
CID 115682951
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 43427706) is N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(NCC2CCC2)nc2sccn12.
What is the InChIKey of N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is MBALUKFDAHISHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-14(16)9-8(11-6-7-2-1-3-7)12-10-13(9)4-5-17-10/h4-5,7,11H,1-3,6H2.
What are the key properties of N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 252.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43427706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).