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

C13H23ClN4OS — CID 120898176

IUPAC1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C13H22N4OS.ClH/c1-13(2,3)11(18)17-6-4-16(5-7-17)9-10-8-15-12(14)19-10;/h8H,4-7,9H2,1-3H3,(H2,14,15);1H
InChIKeyNIFKRLHXZKPSMK-UHFFFAOYSA-N
MW318.87 g/mol
LogP1.84
Rot. Bonds2

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

1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 120898176) has the molecular formula C13H23ClN4OS and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID120898176
Molecular FormulaC13H23ClN4OS
Molecular Weight318.87 g/mol
Exact Mass318.13
IUPAC Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(C)C(=O)N1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C13H22N4OS.ClH/c1-13(2,3)11(18)17-6-4-16(5-7-17)9-10-8-15-12(14)19-10;/h8H,4-7,9H2,1-3H3,(H2,14,15);1H
InChIKeyNIFKRLHXZKPSMK-UHFFFAOYSA-N
XLogP1.84
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride with MolForge

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Related Compounds

4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
CID 120903889
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120898361
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 120901470
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-2-cyclopentylethanone;hydrochloride
CID 120903273
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 120899146
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 120902661

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride (CID 120898176) is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is CC(C)(C)C(=O)N1CCN(Cc2cnc(N)s2)CC1.Cl.
What is the InChIKey of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is NIFKRLHXZKPSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS.ClH/c1-13(2,3)11(18)17-6-4-16(5-7-17)9-10-8-15-12(14)19-10;/h8H,4-7,9H2,1-3H3,(H2,14,15);1H.
What are the key properties of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride?
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 120898176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).