4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one

C10H16N4OS — CID 63602619

IUPAC4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ncc(CN)s1
InChIInChI=1S/C10H16N4OS/c1-2-8-9(15)12-3-4-14(8)10-13-6-7(5-11)16-10/h6,8H,2-5,11H2,1H3,(H,12,15)
InChIKeyLTMGPGGSENGAHK-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.32
Rot. Bonds3

About 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one

4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one (PubChem CID 63602619) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
PubChem CID63602619
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ncc(CN)s1
InChIInChI=1S/C10H16N4OS/c1-2-8-9(15)12-3-4-14(8)10-13-6-7(5-11)16-10/h6,8H,2-5,11H2,1H3,(H,12,15)
InChIKeyLTMGPGGSENGAHK-UHFFFAOYSA-N
XLogP0.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63602290
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
CID 63607199
1-[5-(aminomethyl)-1,3-thiazol-2-yl]-1,4-diazepan-5-one
CID 62999023
4-(6-amino-1,3-benzothiazol-2-yl)-3-ethylpiperazin-2-one
CID 63600268
3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63607028
5-(2-ethyl-3-oxopiperazin-1-yl)pyridine-2-carbothioamide
CID 113320934
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-chloro-2-(2-ethyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687617
[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62752011
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
2-(2-ethyl-3-oxopiperazin-1-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976994
2-(2-ethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbothioamide
CID 107547470

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one (CID 63602619) is 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1ncc(CN)s1.
What is the InChIKey of 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one?
The InChIKey is LTMGPGGSENGAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-8-9(15)12-3-4-14(8)10-13-6-7(5-11)16-10/h6,8H,2-5,11H2,1H3,(H,12,15).
What are the key properties of 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one?
4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63602619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).