4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride

C11H19ClN4OS — CID 120901018

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride
SMILESCN1CCN(Cc2cnc(N)s2)C(C)(C)C1=O.Cl
InChIInChI=1S/C11H18N4OS.ClH/c1-11(2)9(16)14(3)4-5-15(11)7-8-6-13-10(12)17-8;/h6H,4-5,7H2,1-3H3,(H2,12,13);1H
InChIKeyUYFKCOZVSUVIJT-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.20
Rot. Bonds2

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride

4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride (PubChem CID 120901018) has the molecular formula C11H19ClN4OS and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride
PubChem CID120901018
Molecular FormulaC11H19ClN4OS
Molecular Weight290.82 g/mol
Exact Mass290.10
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride
SMILESCN1CCN(Cc2cnc(N)s2)C(C)(C)C1=O.Cl
InChIInChI=1S/C11H18N4OS.ClH/c1-11(2)9(16)14(3)4-5-15(11)7-8-6-13-10(12)17-8;/h6H,4-5,7H2,1-3H3,(H2,12,13);1H
InChIKeyUYFKCOZVSUVIJT-UHFFFAOYSA-N
XLogP1.20
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride (CID 120901018) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride is CN1CCN(Cc2cnc(N)s2)C(C)(C)C1=O.Cl.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride?
The InChIKey is UYFKCOZVSUVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS.ClH/c1-11(2)9(16)14(3)4-5-15(11)7-8-6-13-10(12)17-8;/h6H,4-5,7H2,1-3H3,(H2,12,13);1H.
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,3-trimethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120901018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).