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

C14H14N4O2S — CID 64694286

IUPACN-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O2S/c1-2-10-5-3-4-6-11(10)9-15-12-13(18(19)20)17-7-8-21-14(17)16-12/h3-8,15H,2,9H2,1H3
InChIKeyHLNNVKJKQXERHT-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.48
Rot. Bonds5

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

N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 64694286) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID64694286
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O2S/c1-2-10-5-3-4-6-11(10)9-15-12-13(18(19)20)17-7-8-21-14(17)16-12/h3-8,15H,2,9H2,1H3
InChIKeyHLNNVKJKQXERHT-UHFFFAOYSA-N
XLogP3.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.48
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

5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 133439615
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
methyl 4-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]benzoate
CID 17424151
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
CID 43393095
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 48736144
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
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide
CID 133367582
N-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18205633

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 64694286) is N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CCc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HLNNVKJKQXERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-2-10-5-3-4-6-11(10)9-15-12-13(18(19)20)17-7-8-21-14(17)16-12/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 302.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 64694286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).