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

C7H8ClN3O3S2 — CID 43427528

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cnc(Cl)s2)CCN1
InChIInChI=1S/C7H8ClN3O3S2/c8-7-10-3-6(15-7)16(13,14)11-2-1-9-5(12)4-11/h3H,1-2,4H2,(H,9,12)
InChIKeyDHJVGYJIFKIDFA-UHFFFAOYSA-N
MW281.75 g/mol
LogP-0.08
Rot. Bonds2

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

4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one (PubChem CID 43427528) has the molecular formula C7H8ClN3O3S2 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
PubChem CID43427528
Molecular FormulaC7H8ClN3O3S2
Molecular Weight281.75 g/mol
Exact Mass280.97
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cnc(Cl)s2)CCN1
InChIInChI=1S/C7H8ClN3O3S2/c8-7-10-3-6(15-7)16(13,14)11-2-1-9-5(12)4-11/h3H,1-2,4H2,(H,9,12)
InChIKeyDHJVGYJIFKIDFA-UHFFFAOYSA-N
XLogP-0.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
2-(Acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
CID 22245084
5-Sulfamoyl-1,3-thiazole-2-carboxamide
CID 67218803
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
1-[4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
CID 43427516
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 43455786
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
CID 43455967
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43455968
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 43455975
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
CID 43455976
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43455977

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one (CID 43427528) is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one is O=C1CN(S(=O)(=O)c2cnc(Cl)s2)CCN1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one?
The InChIKey is DHJVGYJIFKIDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3S2/c8-7-10-3-6(15-7)16(13,14)11-2-1-9-5(12)4-11/h3H,1-2,4H2,(H,9,12).
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one?
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one has a molecular weight of 281.75 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one is sourced from PubChem (CID 43427528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).