6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole

C11H6ClN3O2S2 — CID 1482508

IUPAC6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C11H6ClN3O2S2/c12-7-1-3-8(4-2-7)19-9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H
InChIKeyXAVNXZVCVYPNIY-UHFFFAOYSA-N
MW311.78 g/mol
LogP4.11
Rot. Bonds3

About 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole (PubChem CID 1482508) has the molecular formula C11H6ClN3O2S2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
PubChem CID1482508
Molecular FormulaC11H6ClN3O2S2
Molecular Weight311.78 g/mol
Exact Mass310.96
IUPAC Name6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(Sc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C11H6ClN3O2S2/c12-7-1-3-8(4-2-7)19-9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H
InChIKeyXAVNXZVCVYPNIY-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

4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
CID 54911188
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
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
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379
[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 55238469
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbenzoic acid
CID 43388426
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid
CID 3741324
(E)-3-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
CID 170876618
6-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 71885541

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole (CID 1482508) is 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(Sc2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
The InChIKey is XAVNXZVCVYPNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S2/c12-7-1-3-8(4-2-7)19-9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H.
What are the key properties of 6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole?
6-(4-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-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1482508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).