1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone

C9H12ClN3O3S2 — CID 43427516

IUPAC1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H12ClN3O3S2/c1-7(14)12-2-4-13(5-3-12)18(15,16)8-6-11-9(10)17-8/h6H,2-5H2,1H3
InChIKeyAWUZUVCAZZFYLI-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.65
Rot. Bonds2

About 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone

1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone (PubChem CID 43427516) has the molecular formula C9H12ClN3O3S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
PubChem CID43427516
Molecular FormulaC9H12ClN3O3S2
Molecular Weight309.80 g/mol
Exact Mass309.00
IUPAC Name1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H12ClN3O3S2/c1-7(14)12-2-4-13(5-3-12)18(15,16)8-6-11-9(10)17-8/h6H,2-5H2,1H3
InChIKeyAWUZUVCAZZFYLI-UHFFFAOYSA-N
XLogP0.65
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61046141
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
2-Chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole
CID 61051524
2-Methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 58328431
5-(4-Methylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 91064755
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-Chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 43455758
2-Chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 43455759
2-Chloro-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 43455774
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
CID 43455967

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone (CID 43427516) is 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone?
The InChIKey is AWUZUVCAZZFYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S2/c1-7(14)12-2-4-13(5-3-12)18(15,16)8-6-11-9(10)17-8/h6H,2-5H2,1H3.
What are the key properties of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone?
1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone has a molecular weight of 309.80 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 43427516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).