2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid

C7H5N3O4S2 — CID 3741324

IUPAC2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O4S2/c11-4(12)3-16-5-6(10(13)14)9-1-2-15-7(9)8-5/h1-2H,3H2,(H,11,12)
InChIKeyQSZAKNCBDCGECQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.48
Rot. Bonds4

About 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid

2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid (PubChem CID 3741324) has the molecular formula C7H5N3O4S2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
PubChem CID3741324
Molecular FormulaC7H5N3O4S2
Molecular Weight259.27 g/mol
Exact Mass258.97
IUPAC Name2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O4S2/c11-4(12)3-16-5-6(10(13)14)9-1-2-15-7(9)8-5/h1-2H,3H2,(H,11,12)
InChIKeyQSZAKNCBDCGECQ-UHFFFAOYSA-N
XLogP1.48
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.48
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

2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbutanoic acid
CID 105354795
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
CID 54911188
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbenzoic acid
CID 43388426
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
CID 79561861
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
CID 18095387
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095068
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 104571144
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1-phenylethanol
CID 63201214

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid (CID 3741324) is 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid is O=C(O)CSc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
The InChIKey is QSZAKNCBDCGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O4S2/c11-4(12)3-16-5-6(10(13)14)9-1-2-15-7(9)8-5/h1-2H,3H2,(H,11,12).
What are the key properties of 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid?
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid has a molecular weight of 259.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid is sourced from PubChem (CID 3741324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).