2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C12H19N3O3S2 — CID 91833282

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)s1
InChIInChI=1S/C12H19N3O3S2/c1-9-11(13-10(2)19-9)8-12(16)14-4-6-15(7-5-14)20(3,17)18/h4-8H2,1-3H3
InChIKeyZWKHTZDVDWMCOY-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.41
Rot. Bonds3

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 91833282) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID91833282
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)s1
InChIInChI=1S/C12H19N3O3S2/c1-9-11(13-10(2)19-9)8-12(16)14-4-6-15(7-5-14)20(3,17)18/h4-8H2,1-3H3
InChIKeyZWKHTZDVDWMCOY-UHFFFAOYSA-N
XLogP0.41
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(1H-1,2,4-triazol-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 127890522
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
CID 91840363
3,5-dimethyl-6-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 91951779
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 136534115
2-(5-bromothiophen-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804583
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110368132
4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 47197934
1-(4-methylsulfonylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 51252178
2-(1,2-dimethylindol-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804596
2-(2-methoxy-4,6-dimethylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804625
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-pyrrol-1-ylphenyl)ethanone
CID 131961363

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 91833282) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is Cc1nc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is ZWKHTZDVDWMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9-11(13-10(2)19-9)8-12(16)14-4-6-15(7-5-14)20(3,17)18/h4-8H2,1-3H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 317.44 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 91833282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).