6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H8ClN3O3S2 — CID 103739497

IUPAC6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H8ClN3O3S2/c12-9-10(15-5-6-19-11(15)13-9)20(17,18)14-7-3-1-2-4-8(7)16/h1-6,14,16H
InChIKeyADTNYZWWROSKGR-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.56
Rot. Bonds3

About 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 103739497) has the molecular formula C11H8ClN3O3S2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID103739497
Molecular FormulaC11H8ClN3O3S2
Molecular Weight329.79 g/mol
Exact Mass328.97
IUPAC Name6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H8ClN3O3S2/c12-9-10(15-5-6-19-11(15)13-9)20(17,18)14-7-3-1-2-4-8(7)16/h1-6,14,16H
InChIKeyADTNYZWWROSKGR-UHFFFAOYSA-N
XLogP2.56
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283
6-chloro-N-(3,4-dihydro-1H-isochromen-8-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 167761968
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310
6-chloro-N-(4-chloro-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103747738
6-chloro-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 154858741
6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812633
6-chloro-N-(3-ethynylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814471
6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24794433
6-amino-N-(2-bromo-3-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103481342
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65438087
6-chloro-N-(2-methoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114009664

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 103739497) is 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccccc1O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is ADTNYZWWROSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S2/c12-9-10(15-5-6-19-11(15)13-9)20(17,18)14-7-3-1-2-4-8(7)16/h1-6,14,16H.
What are the key properties of 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 329.79 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 103739497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).