1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

C15H27ClN4O2S — CID 120704760

IUPAC1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCOC(C)c1nc(CN2CCN(C(=O)CNC)CC2)cs1.Cl
InChIInChI=1S/C15H26N4O2S.ClH/c1-4-21-12(2)15-17-13(11-22-15)10-18-5-7-19(8-6-18)14(20)9-16-3;/h11-12,16H,4-10H2,1-3H3;1H
InChIKeyCKQBUJFRGPEAMB-UHFFFAOYSA-N
MW362.93 g/mol
LogP1.53
Rot. Bonds7

About 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 120704760) has the molecular formula C15H27ClN4O2S and a molecular weight of 362.93 g/mol. Its IUPAC name is 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID120704760
Molecular FormulaC15H27ClN4O2S
Molecular Weight362.93 g/mol
Exact Mass362.15
IUPAC Name1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCOC(C)c1nc(CN2CCN(C(=O)CNC)CC2)cs1.Cl
InChIInChI=1S/C15H26N4O2S.ClH/c1-4-21-12(2)15-17-13(11-22-15)10-18-5-7-19(8-6-18)14(20)9-16-3;/h11-12,16H,4-10H2,1-3H3;1H
InChIKeyCKQBUJFRGPEAMB-UHFFFAOYSA-N
XLogP1.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 120704760) is 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is CCOC(C)c1nc(CN2CCN(C(=O)CNC)CC2)cs1.Cl.
What is the InChIKey of 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is CKQBUJFRGPEAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S.ClH/c1-4-21-12(2)15-17-13(11-22-15)10-18-5-7-19(8-6-18)14(20)9-16-3;/h11-12,16H,4-10H2,1-3H3;1H.
What are the key properties of 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120704760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).