4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride

C11H18ClN3O2S — CID 119403331

IUPAC4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride
SMILESCc1sc(=O)n(CC(=O)N2CCNCC2)c1C.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-8-9(2)17-11(16)14(8)7-10(15)13-5-3-12-4-6-13;/h12H,3-7H2,1-2H3;1H
InChIKeyNGMBRURBTGJZRJ-UHFFFAOYSA-N
MW291.80 g/mol
LogP0.38
Rot. Bonds2

About 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride

4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride (PubChem CID 119403331) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride.

Molecular Properties

Compound Name4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride
PubChem CID119403331
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride
SMILESCc1sc(=O)n(CC(=O)N2CCNCC2)c1C.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-8-9(2)17-11(16)14(8)7-10(15)13-5-3-12-4-6-13;/h12H,3-7H2,1-2H3;1H
InChIKeyNGMBRURBTGJZRJ-UHFFFAOYSA-N
XLogP0.38
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-benzothiazol-2-one
CID 21278892
4,5-dimethyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 119492937
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811531
5-bromo-2-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66308166
3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119645145
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate
CID 103484760
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 122153153
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 62129908
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride?
The IUPAC name of 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride (CID 119403331) is 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride.
What is the SMILES notation for 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride?
The canonical SMILES for 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride is Cc1sc(=O)n(CC(=O)N2CCNCC2)c1C.Cl.
What is the InChIKey of 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride?
The InChIKey is NGMBRURBTGJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.ClH/c1-8-9(2)17-11(16)14(8)7-10(15)13-5-3-12-4-6-13;/h12H,3-7H2,1-2H3;1H.
What are the key properties of 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride?
4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one;hydrochloride is sourced from PubChem (CID 119403331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).