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

C16H19ClN4O2S — CID 120628539

IUPAC4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CCNC(=O)C2c2ccccc2)cs1
InChIInChI=1S/C16H18N4O2S.ClH/c17-7-6-13-19-12(10-23-13)16(22)20-9-8-18-15(21)14(20)11-4-2-1-3-5-11;/h1-5,10,14H,6-9,17H2,(H,18,21);1H
InChIKeyQURXVGZIMRGTBX-UHFFFAOYSA-N
MW366.87 g/mol
LogP1.38
Rot. Bonds4

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

4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride (PubChem CID 120628539) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride
PubChem CID120628539
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CCNC(=O)C2c2ccccc2)cs1
InChIInChI=1S/C16H18N4O2S.ClH/c17-7-6-13-19-12(10-23-13)16(22)20-9-8-18-15(21)14(20)11-4-2-1-3-5-11;/h1-5,10,14H,6-9,17H2,(H,18,21);1H
InChIKeyQURXVGZIMRGTBX-UHFFFAOYSA-N
XLogP1.38
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride
CID 120630860
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120616228
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120631607
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone
CID 120616229
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
CID 120625314
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 120625875
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 120627587
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
3-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 97081449

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride (CID 120628539) is 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride is Cl.NCCc1nc(C(=O)N2CCNC(=O)C2c2ccccc2)cs1.
What is the InChIKey of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride?
The InChIKey is QURXVGZIMRGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S.ClH/c17-7-6-13-19-12(10-23-13)16(22)20-9-8-18-15(21)14(20)11-4-2-1-3-5-11;/h1-5,10,14H,6-9,17H2,(H,18,21);1H.
What are the key properties of 4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride?
4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-phenylpiperazin-2-one;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 1.38, 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-phenylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120628539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).