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

C11H7N3O3S2 — CID 54911188

IUPAC4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
SMILESO=[N+]([O-])c1c(Sc2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C11H7N3O3S2/c15-7-1-3-8(4-2-7)19-9-10(14(16)17)13-5-6-18-11(13)12-9/h1-6,15H
InChIKeyPIUKPFLCXRELQQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.16
Rot. Bonds3

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

4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol (PubChem CID 54911188) has the molecular formula C11H7N3O3S2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol.

Molecular Properties

Compound Name4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
PubChem CID54911188
Molecular FormulaC11H7N3O3S2
Molecular Weight293.33 g/mol
Exact Mass292.99
IUPAC Name4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
SMILESO=[N+]([O-])c1c(Sc2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C11H7N3O3S2/c15-7-1-3-8(4-2-7)19-9-10(14(16)17)13-5-6-18-11(13)12-9/h1-6,15H
InChIKeyPIUKPFLCXRELQQ-UHFFFAOYSA-N
XLogP3.16
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.16
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-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
CID 18095387
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
CID 79561861
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095457
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbenzoic acid
CID 43388426
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)sulfanylacetic acid
CID 3741324
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
N-methyl-1-[6-(4-nitrophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63808703
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbutanoic acid
CID 105354795
2-(4-fluorophenyl)-5-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanyl-1,3,4-oxadiazole
CID 18095231

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol?
The IUPAC name of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol (CID 54911188) is 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol.
What is the SMILES notation for 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol?
The canonical SMILES for 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol is O=[N+]([O-])c1c(Sc2ccc(O)cc2)nc2sccn12.
What is the InChIKey of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol?
The InChIKey is PIUKPFLCXRELQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3S2/c15-7-1-3-8(4-2-7)19-9-10(14(16)17)13-5-6-18-11(13)12-9/h1-6,15H.
What are the key properties of 4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol?
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol has a molecular weight of 293.33 g/mol, XLogP of 3.16, 3 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)sulfanylphenol is sourced from PubChem (CID 54911188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).