2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide

C12H10N6O3S — CID 133367582

IUPAC2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1nc2sccn2c1[N+](=O)[O-])Nc1ccccn1
InChIInChI=1S/C12H10N6O3S/c19-9(15-8-3-1-2-4-13-8)7-14-10-11(18(20)21)17-5-6-22-12(17)16-10/h1-6,14H,7H2,(H,13,15,19)
InChIKeyHTIAFDYYXBTVFW-UHFFFAOYSA-N
MW318.32 g/mol
LogP1.75
Rot. Bonds5

About 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide

2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide (PubChem CID 133367582) has the molecular formula C12H10N6O3S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide
PubChem CID133367582
Molecular FormulaC12H10N6O3S
Molecular Weight318.32 g/mol
Exact Mass318.05
IUPAC Name2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1nc2sccn2c1[N+](=O)[O-])Nc1ccccn1
InChIInChI=1S/C12H10N6O3S/c19-9(15-8-3-1-2-4-13-8)7-14-10-11(18(20)21)17-5-6-22-12(17)16-10/h1-6,14H,7H2,(H,13,15,19)
InChIKeyHTIAFDYYXBTVFW-UHFFFAOYSA-N
XLogP1.75
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
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

2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
CID 43393095
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
5-nitro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 167846442
5-nitro-N-phenylimidazo[2,1-b][1,3]thiazol-6-amine
CID 16780377
N-hex-5-ynyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 103757363
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 25330104
N-(cyclobutylmethyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 43427706
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-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18205633
3-methyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butan-1-ol
CID 115650113

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide (CID 133367582) is 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide is O=C(CNc1nc2sccn2c1[N+](=O)[O-])Nc1ccccn1.
What is the InChIKey of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide?
The InChIKey is HTIAFDYYXBTVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3S/c19-9(15-8-3-1-2-4-13-8)7-14-10-11(18(20)21)17-5-6-22-12(17)16-10/h1-6,14H,7H2,(H,13,15,19).
What are the key properties of 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide?
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide has a molecular weight of 318.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 133367582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).