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

C13H12ClN3O2S2 — CID 60902472

IUPAC6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C13H12ClN3O2S2/c1-9-3-2-4-10(7-9)8-15-21(18,19)12-11(14)16-13-17(12)5-6-20-13/h2-7,15H,8H2,1H3
InChIKeyFTVDQAUEVSWUOQ-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.84
Rot. Bonds4

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

6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60902472) has the molecular formula C13H12ClN3O2S2 and a molecular weight of 341.85 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60902472
Molecular FormulaC13H12ClN3O2S2
Molecular Weight341.85 g/mol
Exact Mass341.01
IUPAC Name6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2c(Cl)nc3sccn23)c1
InChIInChI=1S/C13H12ClN3O2S2/c1-9-3-2-4-10(7-9)8-15-21(18,19)12-11(14)16-13-17(12)5-6-20-13/h2-7,15H,8H2,1H3
InChIKeyFTVDQAUEVSWUOQ-UHFFFAOYSA-N
XLogP2.84
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814131
6-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 2738191
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115989532
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63239264
6-chloro-N-(5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739274
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
6-chloro-N-(3-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812633
6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733
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-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60902472) is 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cccc(CNS(=O)(=O)c2c(Cl)nc3sccn23)c1.
What is the InChIKey of 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FTVDQAUEVSWUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S2/c1-9-3-2-4-10(7-9)8-15-21(18,19)12-11(14)16-13-17(12)5-6-20-13/h2-7,15H,8H2,1H3.
What are the key properties of 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 341.85 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60902472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).