4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride

C12H19ClN4O2S — CID 120630860

IUPAC4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C12H18N4O2S.ClH/c1-2-9-11(17)14-5-6-16(9)12(18)8-7-19-10(15-8)3-4-13;/h7,9H,2-6,13H2,1H3,(H,14,17);1H
InChIKeyFHGAGRYGJFJFHR-UHFFFAOYSA-N
MW318.83 g/mol
LogP0.42
Rot. Bonds4

About 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride

4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride (PubChem CID 120630860) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride
PubChem CID120630860
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C12H18N4O2S.ClH/c1-2-9-11(17)14-5-6-16(9)12(18)8-7-19-10(15-8)3-4-13;/h7,9H,2-6,13H2,1H3,(H,14,17);1H
InChIKeyFHGAGRYGJFJFHR-UHFFFAOYSA-N
XLogP0.42
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride
CID 120628539
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
CID 119999095
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 120629930
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
3-ethyl-4-(6-hydrazinylpyridine-2-carbonyl)piperazin-2-one
CID 63603750
3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
CID 65210016

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride (CID 120630860) is 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride is CCC1C(=O)NCCN1C(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride?
The InChIKey is FHGAGRYGJFJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S.ClH/c1-2-9-11(17)14-5-6-16(9)12(18)8-7-19-10(15-8)3-4-13;/h7,9H,2-6,13H2,1H3,(H,14,17);1H.
What are the key properties of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride?
4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120630860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).