4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine

C11H9N5O2S — CID 43471134

IUPAC4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H9N5O2S/c12-7-1-3-8(4-2-7)13-9-10(16(17)18)15-5-6-19-11(15)14-9/h1-6,13H,12H2
InChIKeyVUYVGWDJYKYFHA-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.63
Rot. Bonds3

About 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine

4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine (PubChem CID 43471134) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
PubChem CID43471134
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H9N5O2S/c12-7-1-3-8(4-2-7)13-9-10(16(17)18)15-5-6-19-11(15)14-9/h1-6,13H,12H2
InChIKeyVUYVGWDJYKYFHA-UHFFFAOYSA-N
XLogP2.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
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-(2,3-dihydro-1H-inden-5-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780454
N-(3-methylphenyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780634
N-[3-(methoxymethyl)phenyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 34004832
1-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]phenyl]-1,3-diazinan-2-one
CID 133325017
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967724

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine (CID 43471134) is 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine is Nc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine?
The InChIKey is VUYVGWDJYKYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c12-7-1-3-8(4-2-7)13-9-10(16(17)18)15-5-6-19-11(15)14-9/h1-6,13H,12H2.
What are the key properties of 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine?
4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine has a molecular weight of 275.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine is sourced from PubChem (CID 43471134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).