2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C13H17N3O2S — CID 64976994

IUPAC2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCC1C(=O)NCCN1c1nc2c(s1)CCCC2=O
InChIInChI=1S/C13H17N3O2S/c1-2-8-12(18)14-6-7-16(8)13-15-11-9(17)4-3-5-10(11)19-13/h8H,2-7H2,1H3,(H,14,18)
InChIKeyOXIVYBCDGIPOOC-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.38
Rot. Bonds2

About 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976994) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976994
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCC1C(=O)NCCN1c1nc2c(s1)CCCC2=O
InChIInChI=1S/C13H17N3O2S/c1-2-8-12(18)14-6-7-16(8)13-15-11-9(17)4-3-5-10(11)19-13/h8H,2-7H2,1H3,(H,14,18)
InChIKeyOXIVYBCDGIPOOC-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one with MolForge

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Related Compounds

4-chloro-2-(2-ethyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687617
4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
CID 63602619
4-(6-amino-1,3-benzothiazol-2-yl)-3-ethylpiperazin-2-one
CID 63600268
4-(4-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methylpiperazin-2-one
CID 64977727
3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63602290
2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 65390327
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 65405379
4-(6-chloro-4,5-dimethylpyridazin-3-yl)-3-ethylpiperazin-2-one
CID 55215775
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one
CID 55215774
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976994) is 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CCC1C(=O)NCCN1c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is OXIVYBCDGIPOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-8-12(18)14-6-7-16(8)13-15-11-9(17)4-3-5-10(11)19-13/h8H,2-7H2,1H3,(H,14,18).
What are the key properties of 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 279.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).