6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H12ClN5O2S2 — CID 115989532

IUPAC6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H12ClN5O2S2/c1-7-8(6-16(2)15-7)5-13-21(18,19)10-9(12)14-11-17(10)3-4-20-11/h3-4,6,13H,5H2,1-2H3
InChIKeyWHLDBNLUKNCCHD-UHFFFAOYSA-N
MW345.84 g/mol
LogP1.57
Rot. Bonds4

About 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 115989532) has the molecular formula C11H12ClN5O2S2 and a molecular weight of 345.84 g/mol. Its IUPAC name is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID115989532
Molecular FormulaC11H12ClN5O2S2
Molecular Weight345.84 g/mol
Exact Mass345.01
IUPAC Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1nn(C)cc1CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H12ClN5O2S2/c1-7-8(6-16(2)15-7)5-13-21(18,19)10-9(12)14-11-17(10)3-4-20-11/h3-4,6,13H,5H2,1-2H3
InChIKeyWHLDBNLUKNCCHD-UHFFFAOYSA-N
XLogP1.57
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.84
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60902472
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814131
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798
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-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
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-(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-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 115989532) is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1nn(C)cc1CNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is WHLDBNLUKNCCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S2/c1-7-8(6-16(2)15-7)5-13-21(18,19)10-9(12)14-11-17(10)3-4-20-11/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 345.84 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 115989532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).