3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one

C10H15N3O2S — CID 115886879

IUPAC3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESCN1CCN(C(=O)Cn2ccsc2=O)CC1
InChIInChI=1S/C10H15N3O2S/c1-11-2-4-12(5-3-11)9(14)8-13-6-7-16-10(13)15/h6-7H,2-5,8H2,1H3
InChIKeyBMWQUKBTJHPEDJ-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.32
Rot. Bonds2

About 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one

3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 115886879) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID115886879
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESCN1CCN(C(=O)Cn2ccsc2=O)CC1
InChIInChI=1S/C10H15N3O2S/c1-11-2-4-12(5-3-11)9(14)8-13-6-7-16-10(13)15/h6-7H,2-5,8H2,1H3
InChIKeyBMWQUKBTJHPEDJ-UHFFFAOYSA-N
XLogP-0.32
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
CID 56994914
(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
CID 146957017
2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide
CID 173113484
4-Methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
CID 60692333
3-(2-Oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one
CID 63312403
N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312699
1-Methyl-4-(2-sulfanylethyl)pyrazine-2,3-dione
CID 80031588
N,N-diethyl-2-(3-oxo-1,4-thiazin-4-yl)acetamide
CID 84405882
2-(3-oxo-1,4-thiazin-4-yl)-N,N-dipropylacetamide
CID 84405886
3-(2-Oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 115646826
N,N-dimethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646827
N,N-diethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646837

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one (CID 115886879) is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one is CN1CCN(C(=O)Cn2ccsc2=O)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is BMWQUKBTJHPEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-11-2-4-12(5-3-11)9(14)8-13-6-7-16-10(13)15/h6-7H,2-5,8H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 241.32 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115886879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).