2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide

C8H9ClN4O3S2 — CID 60813305

IUPAC2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C8H9ClN4O3S2/c1-12(4-5(10)14)18(15,16)7-6(9)11-8-13(7)2-3-17-8/h2-3H,4H2,1H3,(H2,10,14)
InChIKeyXYKLJYUABYOQKQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP0.16
Rot. Bonds4

About 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide (PubChem CID 60813305) has the molecular formula C8H9ClN4O3S2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide
PubChem CID60813305
Molecular FormulaC8H9ClN4O3S2
Molecular Weight308.77 g/mol
Exact Mass307.98
IUPAC Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C8H9ClN4O3S2/c1-12(4-5(10)14)18(15,16)7-6(9)11-8-13(7)2-3-17-8/h2-3H,4H2,1H3,(H2,10,14)
InChIKeyXYKLJYUABYOQKQ-UHFFFAOYSA-N
XLogP0.16
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(5-hydroxypentyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107199118
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60813970
6-chloro-N-methoxy-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61052679
6-chloro-N-(furan-3-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61422810
6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106831846
6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60813639
6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047458
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115638895
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79309236
6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812795
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 82948195
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide (CID 60813305) is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide?
The InChIKey is XYKLJYUABYOQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3S2/c1-12(4-5(10)14)18(15,16)7-6(9)11-8-13(7)2-3-17-8/h2-3H,4H2,1H3,(H2,10,14).
What are the key properties of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide?
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide has a molecular weight of 308.77 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 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)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 60813305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).