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

C10H9N5O3S — CID 48736144

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1cc(CNc2nc3sccn3c2[N+](=O)[O-])on1
InChIInChI=1S/C10H9N5O3S/c1-6-4-7(18-13-6)5-11-8-9(15(16)17)14-2-3-19-10(14)12-8/h2-4,11H,5H2,1H3
InChIKeyHQEPDLMUMWFIDA-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.21
Rot. Bonds4

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 48736144) has the molecular formula C10H9N5O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID48736144
Molecular FormulaC10H9N5O3S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCc1cc(CNc2nc3sccn3c2[N+](=O)[O-])on1
InChIInChI=1S/C10H9N5O3S/c1-6-4-7(18-13-6)5-11-8-9(15(16)17)14-2-3-19-10(14)12-8/h2-4,11H,5H2,1H3
InChIKeyHQEPDLMUMWFIDA-UHFFFAOYSA-N
XLogP2.21
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
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'}

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Related Compounds

5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
methyl 4-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]benzoate
CID 17424151
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
N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103757363
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
5-nitro-N-(2-piperazin-1-ylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43600445

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 48736144) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is Cc1cc(CNc2nc3sccn3c2[N+](=O)[O-])on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HQEPDLMUMWFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S/c1-6-4-7(18-13-6)5-11-8-9(15(16)17)14-2-3-19-10(14)12-8/h2-4,11H,5H2,1H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 279.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 48736144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).