2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide

C10H13ClN4O3S2 — CID 60814143

IUPAC2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H13ClN4O3S2/c1-6(2)13-7(16)5-12-20(17,18)9-8(11)14-10-15(9)3-4-19-10/h3-4,6,12H,5H2,1-2H3,(H,13,16)
InChIKeyJTWIXLWFMMTXJU-UHFFFAOYSA-N
MW336.83 g/mol
LogP0.85
Rot. Bonds5

About 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 60814143) has the molecular formula C10H13ClN4O3S2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID60814143
Molecular FormulaC10H13ClN4O3S2
Molecular Weight336.83 g/mol
Exact Mass336.01
IUPAC Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H13ClN4O3S2/c1-6(2)13-7(16)5-12-20(17,18)9-8(11)14-10-15(9)3-4-19-10/h3-4,6,12H,5H2,1-2H3,(H,13,16)
InChIKeyJTWIXLWFMMTXJU-UHFFFAOYSA-N
XLogP0.85
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115610829
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
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
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108338
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733
6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047458
6-chloro-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814131
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-methoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114009664

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide (CID 60814143) is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is JTWIXLWFMMTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S2/c1-6(2)13-7(16)5-12-20(17,18)9-8(11)14-10-15(9)3-4-19-10/h3-4,6,12H,5H2,1-2H3,(H,13,16).
What are the key properties of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 336.83 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60814143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).