6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole

C11H6ClN3O2S2 — CID 18095068

IUPAC6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Sc2ccccc2Cl)nc2sccn12
InChIInChI=1S/C11H6ClN3O2S2/c12-7-3-1-2-4-8(7)19-9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H
InChIKeyAQZPEEMFNCCWMP-UHFFFAOYSA-N
MW311.78 g/mol
LogP4.11
Rot. Bonds3

About 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole

6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 18095068) has the molecular formula C11H6ClN3O2S2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID18095068
Molecular FormulaC11H6ClN3O2S2
Molecular Weight311.78 g/mol
Exact Mass310.96
IUPAC Name6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Sc2ccccc2Cl)nc2sccn12
InChIInChI=1S/C11H6ClN3O2S2/c12-7-3-1-2-4-8(7)19-9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H
InChIKeyAQZPEEMFNCCWMP-UHFFFAOYSA-N
XLogP4.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)sulfanylbenzoic acid
CID 43388426
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)sulfanylphenol
CID 54911188
[6-(2-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 55239467
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
CID 18095387
6-[(2-chlorophenyl)methoxy]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 16780125
6-[(1R)-1-(2,6-difluorophenyl)ethyl]sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 95040841
6-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 71885541
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
CID 3741324
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
CID 79561861

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole (CID 18095068) is 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(Sc2ccccc2Cl)nc2sccn12.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is AQZPEEMFNCCWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S2/c12-7-3-1-2-4-8(7)19-9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H.
What are the key properties of 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole has a molecular weight of 311.78 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 18095068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).