N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride

C11H20Cl2N4OS — CID 119924458

IUPACN-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCC(=O)Nc1nc(CN2CCNC(C)C2)cs1.Cl.Cl
InChIInChI=1S/C11H18N4OS.2ClH/c1-8-5-15(4-3-12-8)6-10-7-17-11(14-10)13-9(2)16;;/h7-8,12H,3-6H2,1-2H3,(H,13,14,16);2*1H
InChIKeyWUJJSDQTCYIJKH-UHFFFAOYSA-N
MW327.28 g/mol
LogP1.74
Rot. Bonds3

About N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride

N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride (PubChem CID 119924458) has the molecular formula C11H20Cl2N4OS and a molecular weight of 327.28 g/mol. Its IUPAC name is N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
PubChem CID119924458
Molecular FormulaC11H20Cl2N4OS
Molecular Weight327.28 g/mol
Exact Mass326.07
IUPAC NameN-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCC(=O)Nc1nc(CN2CCNC(C)C2)cs1.Cl.Cl
InChIInChI=1S/C11H18N4OS.2ClH/c1-8-5-15(4-3-12-8)6-10-7-17-11(14-10)13-9(2)16;;/h7-8,12H,3-6H2,1-2H3,(H,13,14,16);2*1H
InChIKeyWUJJSDQTCYIJKH-UHFFFAOYSA-N
XLogP1.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 60979385
N-[4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 114961490
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95333136
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The IUPAC name of N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride (CID 119924458) is N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride is CC(=O)Nc1nc(CN2CCNC(C)C2)cs1.Cl.Cl.
What is the InChIKey of N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The InChIKey is WUJJSDQTCYIJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS.2ClH/c1-8-5-15(4-3-12-8)6-10-7-17-11(14-10)13-9(2)16;;/h7-8,12H,3-6H2,1-2H3,(H,13,14,16);2*1H.
What are the key properties of N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride?
N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride has a molecular weight of 327.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119924458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).