[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine

C12H10N4O3S — CID 106485625

IUPAC[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
SMILESNCc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O3S/c13-7-8-1-3-9(4-2-8)19-10-11(16(17)18)15-5-6-20-12(15)14-10/h1-6H,7,13H2
InChIKeyMPYDXGJNNLHXTK-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.56
Rot. Bonds4

About [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine

[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine (PubChem CID 106485625) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
PubChem CID106485625
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine
SMILESNCc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O3S/c13-7-8-1-3-9(4-2-8)19-10-11(16(17)18)15-5-6-20-12(15)14-10/h1-6H,7,13H2
InChIKeyMPYDXGJNNLHXTK-UHFFFAOYSA-N
XLogP2.56
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-(2,3-dichlorophenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 47012917
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxypyridine-3-carboxylic acid
CID 63851554
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyethanamine
CID 62348908
6-[(2-chloro-3-pyridinyl)oxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 86972120
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybutan-2-amine
CID 64574504
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 16780125
3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
CID 133376928
5-nitroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
CID 10703065
5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
CID 18230478
5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 17440442

Frequently Asked Questions

What is the IUPAC name of [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine?
The IUPAC name of [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine (CID 106485625) is [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine.
What is the SMILES notation for [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine?
The canonical SMILES for [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine is NCc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1.
What is the InChIKey of [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine?
The InChIKey is MPYDXGJNNLHXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c13-7-8-1-3-9(4-2-8)19-10-11(16(17)18)15-5-6-20-12(15)14-10/h1-6H,7,13H2.
What are the key properties of [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine?
[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine has a molecular weight of 290.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxyphenyl]methanamine is sourced from PubChem (CID 106485625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).