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

C11H13ClN4O3S2 — CID 115610829

IUPAC6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=C(CNS(=O)(=O)c1c(Cl)nc2sccn12)N1CCCC1
InChIInChI=1S/C11H13ClN4O3S2/c12-9-10(16-5-6-20-11(16)14-9)21(18,19)13-7-8(17)15-3-1-2-4-15/h5-6,13H,1-4,7H2
InChIKeyYVPDMXWHNDKAND-UHFFFAOYSA-N
MW348.84 g/mol
LogP0.95
Rot. Bonds4

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

6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 115610829) has the molecular formula C11H13ClN4O3S2 and a molecular weight of 348.84 g/mol. Its IUPAC name is 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID115610829
Molecular FormulaC11H13ClN4O3S2
Molecular Weight348.84 g/mol
Exact Mass348.01
IUPAC Name6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=C(CNS(=O)(=O)c1c(Cl)nc2sccn12)N1CCCC1
InChIInChI=1S/C11H13ClN4O3S2/c12-9-10(16-5-6-20-11(16)14-9)21(18,19)13-7-8(17)15-3-1-2-4-15/h5-6,13H,1-4,7H2
InChIKeyYVPDMXWHNDKAND-UHFFFAOYSA-N
XLogP0.95
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798
6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate
CID 61051278
[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol
CID 61052306
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
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-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115989532
6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60902472
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 115610829) is 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=C(CNS(=O)(=O)c1c(Cl)nc2sccn12)N1CCCC1.
What is the InChIKey of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is YVPDMXWHNDKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3S2/c12-9-10(16-5-6-20-11(16)14-9)21(18,19)13-7-8(17)15-3-1-2-4-15/h5-6,13H,1-4,7H2.
What are the key properties of 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 348.84 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 115610829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).