5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine

C11H8N4O2S — CID 16780377

IUPAC5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2)nc2sccn12
InChIInChI=1S/C11H8N4O2S/c16-15(17)10-9(12-8-4-2-1-3-5-8)13-11-14(10)6-7-18-11/h1-7,12H
InChIKeyADMJYPPSZNZFTL-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.05
Rot. Bonds3

About 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine

5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780377) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780377
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2)nc2sccn12
InChIInChI=1S/C11H8N4O2S/c16-15(17)10-9(12-8-4-2-1-3-5-8)13-11-14(10)6-7-18-11/h1-7,12H
InChIKeyADMJYPPSZNZFTL-UHFFFAOYSA-N
XLogP3.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.05
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

4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
CID 43471134
N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780634
N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide
CID 18095326
N-(4-morpholin-4-ylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095042
N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 34004832
N-(2,3-dihydro-1H-inden-5-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780454
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
CID 43393095
1-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]phenyl]-1,3-diazinan-2-one
CID 133325017
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 167846442
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide
CID 133367582

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780377) is 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine is O=[N+]([O-])c1c(Nc2ccccc2)nc2sccn12.
What is the InChIKey of 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is ADMJYPPSZNZFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-15(17)10-9(12-8-4-2-1-3-5-8)13-11-14(10)6-7-18-11/h1-7,12H.
What are the key properties of 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine?
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 260.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).